Ethyl Cellulose
fo-f323945507b93c1d
Identity
- Type
- Neutral molecule
- CAS
- 9004-57-3
- EC
- —
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 30 across every transformer
Structure
Alternative labels
56- 45cP
- Ampacet E/C
- Aquacoat
- Aquacoat ECD
- Aqualon EC-N 50 Pharm
- Aqualon NF
- CE 200FTD
- Celioscoat EC 30A
- Cellulose ethyl
- Cellulose ethylate
- Cellulose, ethyl ether
- EC 100FTD
- EC 100FTP
- EC 200FTD
- EC Vehicle EC 100
- EC-N 100
- EHEC X-high
- Et Cellulose 46CP
- Ethocel
- Ethocel 100FP Premium
- Ethocel 200 Industrial
- Ethocel 7FP Premium
- Ethocel E
- Ethocel EXP-HE
- Ethocel Gr
- Ethocel HP
- Ethocel MED
- Ethocel Standard 10 Premium
- Ethocel Standard 20 Premium
- Ethocel Standard Premium 10 FP
- Ethocel STD
- Ethocel STD 100 Premium
- Ethocel STD FP 7CPS Premium
- Ethyl Cellulose 45
- Ethyl cellulose ether
- Ethyl Cellulose N-200
- Ethylcellulose
- ETs (polysaccharide)
- Hercules N 4
- Hercules N 50
- Hercules T
- MFA-EM
- N 10PH
- Nixon E/C
- O-Ethylcellulose
- PWF-N 100
- RT-N 7
- Seriosukoto EC 30A
- SPT 50CPS
- STD 7FP
- Surelease
- Surelease E 7-19040
- Surelease E 7-19070
- Surelease E 7-7050
- Surelease E 7-7060
- XLO-VP
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | ZZSNKZQZMQGXPY-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C20H38O11/c1-6-26-10-12-16(17(27-7-2)18(28-8-3)20(25-5)30-12)31-19-14(23)13(22)15(24-4)11(9-21)29-19/h11-23H,6-10H2,1-5H3 |
| IUPAC name chemrof:IUPAC_name | 2-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxy-oxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxy-oxane-3,4-diol, 2-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-5-methoxy-6-methylol-tetrahydropyran-3,4-diol, 2-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)-5-methoxy-tetrahydropyran-3,4-diol, 2-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol, 2-[[4,5-diethoxy-2-(ethoxymethyl)-6-methoxy-3-oxanyl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol |
| Molecular formula chemrof:molecular_formula | C20H38O11 |
| Molecular mass chemrof:molecular_mass | 454.513 |
| Monoisotopic mass chemrof:monoisotopic_mass | 454.241412 |
| SMILES string chemrof:smiles_string | CCOCC1C(C(C(C(O1)OC)OCC)OCC)OC2C(C(C(C(O2)CO)OC)O)O |
Known URLs
5Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=9004-57-3 | enrich_references.consensus_cas_link |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:168398 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0033370 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/24832091 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q126611874 | enrich_references.pubchem_identifier_url |
Elementary flows
5| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 9970956e-4a1d-4867-b536-b86f1a8f7683 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 0 |
| e22e27fe-28f0-4e0d-94f8-fa3248a1dc30 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 0 |
| 41e40f53-86d2-4f8f-a46c-ebb190b9eebb | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| e32f821b-8073-4e58-8830-edd41215347c | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 0 |
| 732863de-c3a9-4414-80b6-1d770dd1676e | Environmental → Air → Unknown | EF 3.1 | kg | 0 |
History
Everything that changed this substance (30 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-f323945507b93c1d",
"prefLabel": [
{
"@value": "Ethyl Cellulose",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "45cP",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ampacet E/C",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Aquacoat",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Aquacoat ECD",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Aqualon EC-N 50 Pharm",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Aqualon NF",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "CE 200FTD",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Celioscoat EC 30A",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Cellulose ethyl",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Cellulose ethylate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Cellulose, ethyl ether",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "EC 100FTD",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "EC 100FTP",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "EC 200FTD",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "EC Vehicle EC 100",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "EC-N 100",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "EHEC X-high",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Et Cellulose 46CP",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethocel",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethocel 100FP Premium",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethocel 200 Industrial",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethocel 7FP Premium",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethocel E",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethocel EXP-HE",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethocel Gr",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethocel HP",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethocel MED",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethocel Standard 10 Premium",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethocel Standard 20 Premium",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethocel Standard Premium 10 FP",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethocel STD",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethocel STD 100 Premium",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethocel STD FP 7CPS Premium",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethyl Cellulose 45",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethyl cellulose ether",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethyl Cellulose N-200",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Ethylcellulose",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "ETs (polysaccharide)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Hercules N 4",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Hercules N 50",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Hercules T",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "MFA-EM",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "N 10PH",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Nixon E/C",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "O-Ethylcellulose",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "PWF-N 100",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "RT-N 7",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Seriosukoto EC 30A",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "SPT 50CPS",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "STD 7FP",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Surelease",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Surelease E 7-19040",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Surelease E 7-19070",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Surelease E 7-7050",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Surelease E 7-7060",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "XLO-VP",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:9004-57-3",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C20H38O11"
],
"attested_by": {
"C20H38O11": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:24832091"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CCOCC1C(C(C(C(O1)OC)OCC)OCC)OC2C(C(C(C(O2)CO)OC)O)O"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"ZZSNKZQZMQGXPY-UHFFFAOYSA-N"
],
"attested_by": {
"ZZSNKZQZMQGXPY-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:24832091"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CCOCC1C(C(C(C(O1)OC)OCC)OCC)OC2C(C(C(C(O2)CO)OC)O)O"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CCOCC1C(C(C(C(O1)OC)OCC)OCC)OC2C(C(C(C(O2)CO)OC)O)O"
],
"attested_by": {
"CCOCC1C(C(C(C(O1)OC)OCC)OCC)OC2C(C(C(C(O2)CO)OC)O)O": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "SMILES",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:24832091"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CCOCC1C(C(C(C(O1)OC)OCC)OCC)OC2C(C(C(C(O2)CO)OC)O)O"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C20H38O11/c1-6-26-10-12-16(17(27-7-2)18(28-8-3)20(25-5)30-12)31-19-14(23)13(22)15(24-4)11(9-21)29-19/h11-23H,6-10H2,1-5H3"
],
"attested_by": {
"InChI=1S/C20H38O11/c1-6-26-10-12-16(17(27-7-2)18(28-8-3)20(25-5)30-12)31-19-14(23)13(22)15(24-4)11(9-21)29-19/h11-23H,6-10H2,1-5H3": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChI",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:24832091"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CCOCC1C(C(C(C(O1)OC)OCC)OCC)OC2C(C(C(C(O2)CO)OC)O)O"
]
}
]
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"2-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxy-oxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxy-oxane-3,4-diol",
"2-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-5-methoxy-6-methylol-tetrahydropyran-3,4-diol",
"2-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)-5-methoxy-tetrahydropyran-3,4-diol",
"2-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol",
"2-[[4,5-diethoxy-2-(ethoxymethyl)-6-methoxy-3-oxanyl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol"
],
"attested_by": {
"2-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxy-oxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxy-oxane-3,4-diol": [
"enrich_references.pubchem_semantic"
],
"2-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-5-methoxy-6-methylol-tetrahydropyran-3,4-diol": [
"enrich_references.pubchem_semantic"
],
"2-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxy-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)-5-methoxy-tetrahydropyran-3,4-diol": [
"enrich_references.pubchem_semantic"
],
"2-[4,5-diethoxy-2-(ethoxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol": [
"enrich_references.pubchem_semantic"
],
"2-[[4,5-diethoxy-2-(ethoxymethyl)-6-methoxy-3-oxanyl]oxy]-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol": [
"enrich_references.pubchem_semantic"
]
},
"rdfs:label": "IUPAC name",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:24832091"
],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
454.513
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CCOCC1C(C(C(C(O1)OC)OCC)OCC)OC2C(C(C(C(O2)CO)OC)O)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CCOCC1C(C(C(C(O1)OC)OCC)OCC)OC2C(C(C(C(O2)CO)OC)O)O"
]
}
],
"attested_by": {
"454.513": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
454.241412
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CCOCC1C(C(C(C(O1)OC)OCC)OCC)OC2C(C(C(C(O2)CO)OC)O)O"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CCOCC1C(C(C(C(O1)OC)OCC)OCC)OC2C(C(C(C(O2)CO)OC)O)O"
]
}
],
"attested_by": {
"454.241412": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=9004-57-3",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"9004-57-3"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://hmdb.ca/metabolites/HMDB0033370",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:24832091;CAS:9004-57-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[9004-57-3]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/24832091",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:24832091;CAS:9004-57-3"
],
"prov:wasDerivedFrom": "pubchem.by_cas[9004-57-3]"
}
},
{
"@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:168398",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:24832091;CAS:9004-57-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[9004-57-3]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q126611874",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:24832091;CAS:9004-57-3"
],
"prov:wasDerivedFrom": "pubchem.identifiers[9004-57-3]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "41e40f53-86d2-4f8f-a46c-ebb190b9eebb",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "brightway-flows",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"9004-57-3"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=9004-57-3"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}
Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works