Isooctadecanoic Acid
fo-c77d7eb4b71f0297
Identity
- Type
- Neutral molecule
- CAS
- 30399-84-9
- EC
- 250-178-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 53 across every transformer
Structure
Alternative labels
10- 875D
- Fine Oxocol 1800 Acid
- Haimaric MKH(R)
- Isostearic acid
- Isostearic acid 873
- Isostearic acid EX
- Jaric I 18CG
- Jaric I 18IG
- Prisorin ISAC 3505
- UCN 96.319
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | XDOFQFKRPWOURC-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C18H36O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20) |
| IUPAC name chemrof:IUPAC_name | Isooctadecanoic Acid |
| Molecular formula chemrof:molecular_formula | C18H36O2 |
| Molecular mass chemrof:molecular_mass | 284.484 |
| Monoisotopic mass chemrof:monoisotopic_mass | 284.27153 |
| SMILES string chemrof:smiles_string | CC(C)CCCCCCCCCCCCCCC(=O)O |
Known URLs
1Where 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=30399-84-9 | enrich_references.consensus_cas_link |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| e1cc7ec6-bef0-41ee-991b-2486b3da0f20 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 01c4344e-d366-4fb1-bfa3-1a0ea9b137df | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 5ca7c8d5-c43c-4df5-8ff6-66f531680ce5 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| f04a9ea8-da3c-4da3-b095-ead870ce7963 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 4254a413-8ff6-4641-9ae1-d703a3a5ec91 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 39717b44-a82c-4205-9eeb-29ca67151463 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| a44efe2d-c74f-49e9-a0d5-6cd28ad5e3f8 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 6847e767-8b78-43c2-b476-8cb95dee2325 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 193cb89b-f021-4193-984f-f9400278d87c | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| d5e0abb9-a00e-4438-bcbd-8d47b0ca4749 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 2ec5e34e-40b5-463e-8d81-d6d3a85dc43f | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 584f9d69-85c0-4242-a76d-578f0b44e6dc | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 0e0c09c7-2eeb-428c-91f9-5abde58f47a0 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (53 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-c77d7eb4b71f0297",
"prefLabel": [
{
"@value": "Isooctadecanoic Acid",
"@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": "875D",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:30399-84-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=30399-84-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Fine Oxocol 1800 Acid",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:30399-84-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=30399-84-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Haimaric MKH(R)",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:30399-84-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=30399-84-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Isostearic acid",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:30399-84-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=30399-84-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Isostearic acid 873",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:30399-84-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=30399-84-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Isostearic acid EX",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:30399-84-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=30399-84-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Jaric I 18CG",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:30399-84-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=30399-84-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Jaric I 18IG",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:30399-84-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=30399-84-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Prisorin ISAC 3505",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:30399-84-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=30399-84-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "UCN 96.319",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CAS:30399-84-9",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=30399-84-9"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
}
],
"properties": {
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"Isooctadecanoic Acid"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Isooctadecanoic Acid"
]
},
"attested_by": {
"Isooctadecanoic Acid": [
"opsin_iupac"
]
}
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CC(C)CCCCCCCCCCCCCCC(=O)O"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Isooctadecanoic Acid"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CCCCCCCCCCCCCCC(=O)O"
]
}
],
"attested_by": {
"CC(C)CCCCCCCCCCCCCCC(=O)O": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C18H36O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Isooctadecanoic Acid"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CCCCCCCCCCCCCCC(=O)O"
]
}
],
"attested_by": {
"InChI=1S/C18H36O2/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)": [
"opsin_iupac",
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"rdfs:label": "InChIKey",
"@value": [
"XDOFQFKRPWOURC-UHFFFAOYSA-N"
],
"provenance": {
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CCCCCCCCCCCCCCC(=O)O"
]
},
"attested_by": {
"XDOFQFKRPWOURC-UHFFFAOYSA-N": [
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/molecular_formula": {
"@id": "https://w3id.org/chemrof/molecular_formula",
"rdfs:label": "Molecular formula",
"@value": [
"C18H36O2"
],
"provenance": {
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CCCCCCCCCCCCCCC(=O)O"
]
},
"attested_by": {
"C18H36O2": [
"rdkit_post_consensus"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
284.484
],
"provenance": {
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CCCCCCCCCCCCCCC(=O)O"
]
},
"attested_by": {
"284.484": [
"rdkit_post_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": [
284.27153
],
"provenance": {
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CCCCCCCCCCCCCCC(=O)O"
]
},
"attested_by": {
"284.27153": [
"rdkit_post_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=30399-84-9",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"30399-84-9"
],
"prov:wasDerivedFrom": "cas_numbers"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "01c4344e-d366-4fb1-bfa3-1a0ea9b137df",
"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": [
"30399-84-9"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=30399-84-9"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=30399-84-9"
}
],
"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": [
"250-178-0"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=250-178-0"
],
"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