Bis(pentane-2,4-dionato-o,o')bis(propan-2-olato)titanium
fo-04ab4750ee20d69d
Identity
- Type
- Chemical salt
- CAS
- 17927-72-9
- EC
- 241-866-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
40- (Diisopropoxy)bis(acetylacetonate)titanium (IV)
- Bis(2,4-pentanedionato)bis(2-propanolato)titanium
- Bis(2,4-pentanedionato-κO2,κO4)bis(2-propanolato)titanium
- Bis(acetylacetonate)-titanium-di-isopropylate
- Bis(acetylacetonato)bis(isopropanolato)titanium
- Bis(acetylacetonato)diisopropanolatotitanium
- Bis(acetylacetonato)diisopropoxytitanium
- Bis(isopropoxy)titanium bis(acetylacetonate)
- Di(isopropoxo)bis(pentane-2,4-dionato)titanium
- Diacetylacetonatotitanium diisopropoxide
- Diisopropoxybis(2,4-pentanedionato)titanium(IV)
- Diisopropoxybis(acetylacetonato)titanium
- Diisopropoxytitanium bis(acetylacetonate)
- Diisopropoxytitanium diacetylacetonate
- Diisopropyl bis(acetylacetonate)titanate
- Lida LD 801
- Orgatix TC 100
- Orgatix TC 120
- TAA (titanate)
- TCA-AA 75
- Titabond 50
- Titacoat T 50
- Titanium bis(2,4-pentanedionate) diisopropoxide
- Titanium bis(acetoacetonate)diisopropylate
- Titanium bis(acetylacetonate) diisopropoxide
- Titanium bis(isopropoxy) bis(acetoacetonate)
- Titanium diisopropoxide bis(2,4-pentanedionate)
- Titanium diisopropoxide bis(acetylacetonate)
- Titanium diisopropoxy bis(acetylacetonate)
- Titanium diisopropylate diacetylacetonate
- Titanium, bis(2,4-pentanedionato-O,O′)bis(2-propanolato)-
- Titanium, bis(2,4-pentanedionato-κO,κO′)bis(2-propanolato)-
- Titanium, bis(2,4-pentanedionato-κO2,κO4)bis(2-propanolato)-
- Titanium, diisopropoxybis(2,4-pentanedionato)-
- Tytan TAA
- Tyzor AA
- Tyzor AA 75
- Tyzor GBA
- Vertec KE 2
- Vertec TAA
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | DOOBMVWXHWRGEB-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/2C5H7O2.2C3H7O.Ti/c2*1-4(6)3-5(2)7;2*1-3(2)4;/h2*3H,1-2H3;2*3H,1-2H3;/q4*-1;+4 |
| IUPAC name chemrof:IUPAC_name | bis(pentane-2,4-dione);bis(2-propanolate);titanium(4+), bis(pentane-2,4-dione);bis(propan-2-olate);titanium(4+) |
| Molecular formula chemrof:molecular_formula | C16H28O6Ti |
| Molecular mass chemrof:molecular_mass | 364.261 |
| Monoisotopic mass chemrof:monoisotopic_mass | 364.136535 |
| SMILES string chemrof:smiles_string | CC(C)[O-].CC(C)[O-].CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Ti+4] |
Known URLs
4Where 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=17927-72-9 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1044855 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/131849927 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27252142 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| ab7dacae-d4d2-40fe-b035-4d0ba9678355 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| ce11dbee-0842-424a-bb49-181de0948725 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| ba5cce93-9cf7-4ee0-a1f1-036878d46d53 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 48b3e97b-66c9-490c-965d-77bad21dc8d2 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 04b4b9a9-b5a0-416d-bf0d-b06d4a8d7de0 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 498d482e-9e9d-40cd-92a0-edb750c38b99 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 867c384e-59e3-43ed-828a-46357db403cb | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 7171b537-5730-40ca-8df7-6c50a47d3dff | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| a7a9a214-4709-42c1-a3a1-9d8d3b32713c | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 94f2c0db-3b7b-4ddf-b428-6b01e86b932a | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| e793a5a8-65c9-4a94-af62-540164bdc8ab | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| a17291e3-6603-4684-bd3b-5fe956075916 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 61c4dfe5-42a5-443a-9749-ad0decb3255f | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-04ab4750ee20d69d",
"prefLabel": [
{
"@value": "Bis(pentane-2,4-dionato-o,o')bis(propan-2-olato)titanium",
"@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": "(Diisopropoxy)bis(acetylacetonate)titanium (IV)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Bis(2,4-pentanedionato)bis(2-propanolato)titanium",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Bis(2,4-pentanedionato-κO2,κO4)bis(2-propanolato)titanium",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Bis(acetylacetonate)-titanium-di-isopropylate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Bis(acetylacetonato)bis(isopropanolato)titanium",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Bis(acetylacetonato)diisopropanolatotitanium",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Bis(acetylacetonato)diisopropoxytitanium",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Bis(isopropoxy)titanium bis(acetylacetonate)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Di(isopropoxo)bis(pentane-2,4-dionato)titanium",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Diacetylacetonatotitanium diisopropoxide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Diisopropoxybis(2,4-pentanedionato)titanium(IV)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Diisopropoxybis(acetylacetonato)titanium",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Diisopropoxytitanium bis(acetylacetonate)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Diisopropoxytitanium diacetylacetonate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Diisopropyl bis(acetylacetonate)titanate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Lida LD 801",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Orgatix TC 100",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Orgatix TC 120",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "TAA (titanate)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "TCA-AA 75",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Titabond 50",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Titacoat T 50",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Titanium bis(2,4-pentanedionate) diisopropoxide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Titanium bis(acetoacetonate)diisopropylate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Titanium bis(acetylacetonate) diisopropoxide",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Titanium bis(isopropoxy) bis(acetoacetonate)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Titanium diisopropoxide bis(2,4-pentanedionate)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Titanium diisopropoxide bis(acetylacetonate)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Titanium diisopropoxy bis(acetylacetonate)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Titanium diisopropylate diacetylacetonate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Titanium, bis(2,4-pentanedionato-O,O′)bis(2-propanolato)-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Titanium, bis(2,4-pentanedionato-κO,κO′)bis(2-propanolato)-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Titanium, bis(2,4-pentanedionato-κO2,κO4)bis(2-propanolato)-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Titanium, diisopropoxybis(2,4-pentanedionato)-",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Tytan TAA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Tyzor AA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Tyzor AA 75",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Tyzor GBA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Vertec KE 2",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Vertec TAA",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CAS:17927-72-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C16H28O6Ti"
],
"attested_by": {
"C16H28O6Ti": [
"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:131849927"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CC(C)[O-].CC(C)[O-].CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Ti+4]"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"DOOBMVWXHWRGEB-UHFFFAOYSA-N"
],
"attested_by": {
"DOOBMVWXHWRGEB-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:131849927"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CC(C)[O-].CC(C)[O-].CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Ti+4]"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CC(C)[O-].CC(C)[O-].CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Ti+4]"
],
"attested_by": {
"CC(C)[O-].CC(C)[O-].CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Ti+4]": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "SMILES",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:131849927"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CC(C)[O-].CC(C)[O-].CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Ti+4]"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/2C5H7O2.2C3H7O.Ti/c2*1-4(6)3-5(2)7;2*1-3(2)4;/h2*3H,1-2H3;2*3H,1-2H3;/q4*-1;+4"
],
"attested_by": {
"InChI=1S/2C5H7O2.2C3H7O.Ti/c2*1-4(6)3-5(2)7;2*1-3(2)4;/h2*3H,1-2H3;2*3H,1-2H3;/q4*-1;+4": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChI",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:131849927"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CC(C)[O-].CC(C)[O-].CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Ti+4]"
]
}
]
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"bis(pentane-2,4-dione);bis(2-propanolate);titanium(4+)",
"bis(pentane-2,4-dione);bis(propan-2-olate);titanium(4+)"
],
"attested_by": {
"bis(pentane-2,4-dione);bis(2-propanolate);titanium(4+)": [
"enrich_references.pubchem_semantic"
],
"bis(pentane-2,4-dione);bis(propan-2-olate);titanium(4+)": [
"enrich_references.pubchem_semantic"
]
},
"rdfs:label": "IUPAC name",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:131849927"
],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
364.261
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CC(C)[O-].CC(C)[O-].CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Ti+4]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CC(C)[O-].CC(C)[O-].CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Ti+4]"
]
}
],
"attested_by": {
"364.261": [
"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": [
364.136535
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CC(C)[O-].CC(C)[O-].CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Ti+4]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CC(C)[O-].CC(C)[O-].CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Ti+4]"
]
}
],
"attested_by": {
"364.136535": [
"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=17927-72-9",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:131849927;CAS:17927-72-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[17927-72-9]"
}
},
{
"@id": "https://comptox.epa.gov/dashboard/DTXSID1044855",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:131849927;CAS:17927-72-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[17927-72-9]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/131849927",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:131849927;CAS:17927-72-9"
],
"prov:wasDerivedFrom": "pubchem.by_cas[17927-72-9]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q27252142",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "brightway-flows",
"prov:hadPrimarySource": [
"CID:131849927;CAS:17927-72-9"
],
"prov:wasDerivedFrom": "pubchem.identifiers[17927-72-9]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "04b4b9a9-b5a0-416d-bf0d-b06d4a8d7de0",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "multi_component_ionic",
"reason": "",
"types": [
"https://w3id.org/chemrof/ChemicalSalt"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "brightway-flows",
"prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"17927-72-9"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=17927-72-9"
}
],
"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": [
"241-866-1"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=241-866-1"
],
"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/ChemicalSalt"
]
}
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