Consensus flow list

Decyl Oleate

fo-f74fd5fb25a66695

Identity

Type
NeutralMolecule
CAS
3687-46-5
EC
222-981-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Decyl Oleate

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

17

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string SASYSVUEVMOWPL-NXVVXOECSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C28H54O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28(29)30-27-25-23-21-12-10-8-6-4-2/h15-16H,3-14,17-27H2,1-2H3/b16-15-
Isomeric SMILES string chemrof:isomeric_smiles_string CCCCCCCC/C=C\CCCCCCCC(=O)OCCCCCCCCCC
IUPAC name chemrof:IUPAC_name Decyl Oleate
Molecular formula chemrof:molecular_formula C28H54O2
Molecular mass chemrof:molecular_mass 422.738
Monoisotopic mass chemrof:monoisotopic_mass 422.41238, 422.412381
SMILES string chemrof:smiles_string CCCCCCCCC=CCCCCCCCC(=O)OCCCCCCCCCC

Known URLs

16

Where 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=3687-46-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:75620 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.020.892 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1029259 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ZGR06DO97T enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J205.598H enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/C20365 enrich_references.pubchem_identifier_url
patent patent:CH689373 enrich_references.chebi_xrefs
patent patent:US5702714 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5363234 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/15848063 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20006088 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20704600 enrich_references.chebi_xrefs
reaxys reaxys:5964812 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1307038 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q297361 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
2caf729c-77bd-447f-8221-38ac7a1531ed Environmental → Air → Aircraft cruise height EF 3.1 kg 4
797895aa-1088-453b-a0ec-5be12d87d8ce Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
54255fac-ce8e-4f54-b7a4-87ccadc61fe2 Environmental → Air → Indoor EF 3.1 kg 4
f49f406c-c242-4f85-9768-46d43a15c1d0 Environmental → Air → Long-term EF 3.1 kg 0
5b7210ed-628c-4e42-80a0-b05530ccd387 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
73e5520d-4f28-40fe-9980-4aad0698cf9b Environmental → Air → Unknown EF 3.1 kg 4
351b9a24-c855-469a-9440-d4eea770d31b Environmental → Ground → Agricultural EF 3.1 kg 4
217e03ad-b2b9-447c-9c55-f0cba8154832 Environmental → Ground → Non-agricultural EF 3.1 kg 4
576d448a-3a4f-4b33-8adc-abb29827acd3 Environmental → Ground → Unknown EF 3.1 kg 4
a385bf15-188e-4f2e-93ad-0620c30a491d Environmental → Water → Long-term EF 3.1 kg 0
142f5418-6363-4f3f-b1e6-a51a5526c81e Environmental → Water → Ocean EF 3.1 kg 4
d520f951-41b0-4186-b6fb-338068942ee8 Environmental → Water → Surface water EF 3.1 kg 4
3bccbb57-a798-4f00-b376-d5d90b201de6 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-f74fd5fb25a66695",
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      "@value": "Decyl Oleate",
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  ],
  "altLabel": [
    {
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    {
      "@value": "9-Octadecenoic acid, decyl ester",
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    },
    {
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    {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "decanol oleate ester",
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    },
    {
      "@value": "decyl (9Z)-octadec-9-enoate",
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    },
    {
      "@value": "decyl (9Z)-octadecenoate",
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      }
    },
    {
      "@value": "Decyl 9-octadecenoate",
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      }
    },
    {
      "@value": "Decyl cis-9-octadecenoate",
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    },
    {
      "@value": "Estol DCO 3662",
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      }
    },
    {
      "@value": "Kollicream DO",
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        ],
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      }
    },
    {
      "@value": "Oleic acid n-decyl ester",
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    },
    {
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    {
      "@value": "Saboderm DO",
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    {
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    {
      "@value": "Tegosoft DO",
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  "properties": {
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    },
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    },
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      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
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        "prov:hadPrimarySource": [
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      },
      "attested_by": {
        "Decyl Oleate": [
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    },
    "https://w3id.org/chemrof/isomeric_smiles_string": {
      "rdfs:label": "isomeric smiles string",
      "@value": [
        "CCCCCCCC/C=C\\CCCCCCCC(=O)OCCCCCCCCCC"
      ],
      "provenance": [
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          ]
        },
        {
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