Bis(8-methylnonyl) Sebacate
fo-1c80c94fce15b254
Identity
- Type
- Neutral molecule
- CAS
- 28473-19-0
- EC
- 249-047-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
6- Decanedioic acid, 1,10-diisodecyl ester
- Decanedioic acid, diisodecyl ester
- Diisodecyl sebacate
- Plasthall DIDS
- Sebacic acid, diisodecyl ester
- Uniplex DIDS
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | OAXZVLMNNOOMGN-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C30H58O4/c1-27(2)21-15-9-7-13-19-25-33-29(31)23-17-11-5-6-12-18-24-30(32)34-26-20-14-8-10-16-22-28(3)4/h27-28H,5-26H2,1-4H3 |
| IUPAC name chemrof:IUPAC_name | Bis(8-methylnonyl) Sebacate |
| Molecular formula chemrof:molecular_formula | C30H58O4 |
| Molecular mass chemrof:molecular_mass | 482.79 |
| Monoisotopic mass chemrof:monoisotopic_mass | 482.43351 |
| SMILES string chemrof:smiles_string | CC(C)CCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC(C)C |
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=28473-19-0 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.044.573 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/119968 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q81984437 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 2fc654b1-98d4-43b5-9622-957daca3d042 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 0b5182e8-bd25-41c3-bf23-f868eadca108 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 83577b11-0644-4641-a541-12affb5da9b6 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 97a60acb-168f-40cb-81c4-a9a110694a80 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 0ca06465-741a-4d14-a6e6-867422c186a7 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| d97ecf19-dc78-4ac2-ac5c-99a165752fd9 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| c0bb0293-3104-4a89-8ab0-15b0fde01180 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| dda3fd6d-1500-4685-a921-ed8ead2f21e0 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| af0dbf34-ec9a-4046-83e5-39f0b58de88b | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 876ec133-3edd-4239-973e-c21202cbaa0f | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 4137009c-4979-4925-8f78-8fc8ded3ded8 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| c05d4491-5ce3-4ac5-8a76-082b366b0b2e | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 52965d63-bf33-4ad6-8145-cc665e321a92 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-1c80c94fce15b254",
"prefLabel": [
{
"@value": "Bis(8-methylnonyl) Sebacate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "bootstrap_labels",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "legacy name field"
}
}
],
"altLabel": [
{
"@value": "Decanedioic acid, 1,10-diisodecyl ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:28473-19-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=28473-19-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Decanedioic acid, diisodecyl ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:28473-19-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=28473-19-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Diisodecyl sebacate",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:28473-19-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=28473-19-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Plasthall DIDS",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:28473-19-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=28473-19-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Sebacic acid, diisodecyl ester",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:28473-19-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=28473-19-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Uniplex DIDS",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:28473-19-0",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=28473-19-0"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C30H58O4"
],
"attested_by": {
"C30H58O4": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:119968"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC(C)C"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"OAXZVLMNNOOMGN-UHFFFAOYSA-N"
],
"attested_by": {
"OAXZVLMNNOOMGN-UHFFFAOYSA-N": [
"enrich_references.pubchem_semantic",
"rdkit_post_consensus"
]
},
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:119968"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC(C)C"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CC(C)CCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC(C)C"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Bis(8-methylnonyl) Sebacate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC(C)C"
]
}
],
"attested_by": {
"CC(C)CCCCCCCOC(=O)CCCCCCCCC(=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/C30H58O4/c1-27(2)21-15-9-7-13-19-25-33-29(31)23-17-11-5-6-12-18-24-30(32)34-26-20-14-8-10-16-22-28(3)4/h27-28H,5-26H2,1-4H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Bis(8-methylnonyl) Sebacate"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC(C)C"
]
}
],
"attested_by": {
"InChI=1S/C30H58O4/c1-27(2)21-15-9-7-13-19-25-33-29(31)23-17-11-5-6-12-18-24-30(32)34-26-20-14-8-10-16-22-28(3)4/h27-28H,5-26H2,1-4H3": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Bis(8-methylnonyl) Sebacate"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Bis(8-methylnonyl) Sebacate"
]
},
"attested_by": {
"Bis(8-methylnonyl) Sebacate": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
482.79
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC(C)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC(C)C"
]
}
],
"attested_by": {
"482.79": [
"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": [
482.43351
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC(C)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC(C)C"
]
}
],
"attested_by": {
"482.43351": [
"rdkit_post_consensus",
"rdkit_pre_consensus"
]
},
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
}
},
"references": [
{
"@id": "https://chem.echa.europa.eu/100.044.573",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:119968;CAS:28473-19-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[28473-19-0]"
}
},
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=28473-19-0",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:119968;CAS:28473-19-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[28473-19-0]"
}
},
{
"@id": "https://pubchem.ncbi.nlm.nih.gov/compound/119968",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_compound",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:119968;CAS:28473-19-0"
],
"prov:wasDerivedFrom": "pubchem.by_cas[28473-19-0]"
}
},
{
"@id": "https://www.wikidata.org/wiki/Q81984437",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:119968;CAS:28473-19-0"
],
"prov:wasDerivedFrom": "pubchem.identifiers[28473-19-0]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "0b5182e8-bd25-41c3-bf23-f868eadca108",
"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": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"28473-19-0"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=28473-19-0"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=28473-19-0"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"249-047-0"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=249-047-0"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"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