8-methylnonyl Methacrylate
fo-6d6c52a1a7973297
Identity
- Type
- Neutral molecule
- CAS
- 29964-84-9
- EC
- 249-978-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
7- 2-Propenoic acid, 2-methyl-, isodecyl ester
- Bisomer IDMA
- Isodecyl methacrylate
- Light Ester ID
- Methacrylic acid, isodecyl ester
- Miramer M 131
- Visiomer IDMA
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | COCLLEMEIJQBAG-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C14H26O2/c1-12(2)10-8-6-5-7-9-11-16-14(15)13(3)4/h12H,3,5-11H2,1-2,4H3 |
| IUPAC name chemrof:IUPAC_name | 8-methylnonyl Methacrylate |
| Molecular formula chemrof:molecular_formula | C14H26O2 |
| Molecular mass chemrof:molecular_mass | 226.36 |
| Monoisotopic mass chemrof:monoisotopic_mass | 226.19328 |
| SMILES string chemrof:smiles_string | C=C(C)C(=O)OCCCCCCCC(C)C |
Known URLs
9Where 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=142600-07-5 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=29964-84-9 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.045.420 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID60881155 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187369 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7G47103FGX | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J48.652C | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/34763 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27268224 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 06d8d06e-e8bb-4768-9da9-673292f92e0b | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 8f61ef49-cee7-4f51-b017-aef087a73714 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 7fce86a4-7ef7-4fd4-adef-8cfa13b9d762 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 1248b6e2-1119-4fb4-bf04-22ea9ce69682 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 132ef145-05b0-4053-8b4e-c72b5639fb59 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| d6aafc22-3ab6-4d82-a167-0dcc54f9e78e | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 9ec9614b-841d-4ea4-93a8-dcb6b707c430 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| c0b3a864-44f5-4ccb-86de-01e886880c04 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 4fe486fe-0215-4930-addf-2f41f7c0a551 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| c802edbb-5413-4755-b269-98c120800e16 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 2ace589f-e072-4838-b725-73393c5a31ac | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| b83c150d-17d0-4f48-83d3-7ec9a4b1a816 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 3dfe1139-fef0-4459-a524-0bfa2e562461 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-6d6c52a1a7973297",
"prefLabel": [
{
"@value": "8-methylnonyl Methacrylate",
"@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": "2-Propenoic acid, 2-methyl-, isodecyl ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:29964-84-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=29964-84-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Bisomer IDMA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:29964-84-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=29964-84-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Isodecyl methacrylate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:29964-84-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=29964-84-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Light Ester ID",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:29964-84-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=29964-84-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Methacrylic acid, isodecyl ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:29964-84-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=29964-84-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Miramer M 131",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:29964-84-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=29964-84-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Visiomer IDMA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:29964-84-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=29964-84-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C14H26O2"
],
"attested_by": {
"C14H26O2": [
"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:34763"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"C=C(C)C(=O)OCCCCCCCC(C)C"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"COCLLEMEIJQBAG-UHFFFAOYSA-N"
],
"attested_by": {
"COCLLEMEIJQBAG-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:34763"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"C=C(C)C(=O)OCCCCCCCC(C)C"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"C=C(C)C(=O)OCCCCCCCC(C)C"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"8-methylnonyl Methacrylate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"C=C(C)C(=O)OCCCCCCCC(C)C"
]
}
],
"attested_by": {
"C=C(C)C(=O)OCCCCCCCC(C)C": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C14H26O2/c1-12(2)10-8-6-5-7-9-11-16-14(15)13(3)4/h12H,3,5-11H2,1-2,4H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"8-methylnonyl Methacrylate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"C=C(C)C(=O)OCCCCCCCC(C)C"
]
}
],
"attested_by": {
"InChI=1S/C14H26O2/c1-12(2)10-8-6-5-7-9-11-16-14(15)13(3)4/h12H,3,5-11H2,1-2,4H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"8-methylnonyl Methacrylate"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"8-methylnonyl Methacrylate"
]
},
"attested_by": {
"8-methylnonyl Methacrylate": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
226.36
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CC(C)CCCCCCCOC(=O)C(=C)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"C=C(C)C(=O)OCCCCCCCC(C)C"
]
}
],
"attested_by": {
"226.36": [
"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": [
226.19328
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CC(C)CCCCCCCOC(=O)C(=C)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"C=C(C)C(=O)OCCCCCCCC(C)C"
]
}
],
"attested_by": {
"226.19328": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J48.652C",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:34763;CAS:29964-84-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[29964-84-9]"
}
},
{
"@id": "https://chem.echa.europa.eu/100.045.420",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:34763;CAS:29964-84-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[29964-84-9]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=142600-07-5",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:34763;CAS:29964-84-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[29964-84-9]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=29964-84-9",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"29964-84-9"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID60881155",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:34763;CAS:29964-84-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[29964-84-9]"
}
},
{
"@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7G47103FGX",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:34763;CAS:29964-84-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[29964-84-9]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/34763",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:34763;CAS:29964-84-9"
],
"prov:wasDerivedFrom": "pubchem.by_cas[29964-84-9]"
}
},
{
"@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187369",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:34763;CAS:29964-84-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[29964-84-9]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27268224",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:34763;CAS:29964-84-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[29964-84-9]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "06d8d06e-e8bb-4768-9da9-673292f92e0b",
"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": [
"29964-84-9"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=29964-84-9"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=29964-84-9"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"249-978-2"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=249-978-2"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_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