Consensus flow list

Identity

Type
Neutral molecule
CAS
624-03-3
EC
210-826-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Hexadecanoic Acid, 1,2-ethanediyl Ester

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string IKVCSHRLYCDSFD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C34H66O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(35)37-31-32-38-34(36)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
IUPAC name chemrof:IUPAC_name 1,2-Ethylene dipalmitate
Molecular formula chemrof:molecular_formula C34H66O4
Molecular mass chemrof:molecular_mass 538.898
Monoisotopic mass chemrof:monoisotopic_mass 538.496111
SMILES string chemrof:smiles_string CCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCC

Known URLs

9

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=32628-06-1 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=624-03-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.842 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID10211448 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6819 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8XIR673VTI enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J95.475F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/69347 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27271160 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
bff892e6-508d-4b71-a4f5-d888b4c4d455 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
a36f7683-8561-43ff-bf58-4de372403100 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
0e7e29f8-6bd8-447c-9988-c946cd8598c2 Environmental → Air → Indoor EF 3.1 kg 4
d56c5b2f-cb38-4716-ad5b-0a520fe61a96 Environmental → Air → Long-term EF 3.1 kg 0
f49efc4a-bbe2-423e-b851-c65a4422dfcc Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
de560260-a954-49ee-a585-e36eb66f6186 Environmental → Air → Unknown EF 3.1 kg 4
178a37ca-c2fb-4307-a6ef-fd08d1d867f5 Environmental → Ground → Agricultural EF 3.1 kg 4
09499424-aad7-4b0f-80ae-75eb93b77f85 Environmental → Ground → Non-agricultural EF 3.1 kg 4
2e9db86e-a3eb-42a7-8605-a4e57bbd3ebe Environmental → Ground → Unknown EF 3.1 kg 4
6d5fc4b3-c921-4b2f-92bc-51d23cb08620 Environmental → Water → Long-term EF 3.1 kg 0
686aa256-79d5-46cc-9eb1-12b8945be1df Environmental → Water → Ocean EF 3.1 kg 4
fa36cb8c-912c-4ffa-8f5f-b0d9f79f8b9d Environmental → Water → Surface water EF 3.1 kg 4
3bef565d-18c1-41a5-8fd4-520e61f28e62 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-d358699c0a30317a",
  "prefLabel": [
    {
      "@value": "Hexadecanoic Acid, 1,2-ethanediyl Ester",
      "@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": "1,1′-(1,2-Ethanediyl) dihexadecanoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:624-03-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=624-03-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,2-Di-O-Hexadecanoylethanediol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=624-03-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,2-Dipalmitoylethylene glycol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=624-03-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,2-Ethylene dipalmitate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:624-03-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=624-03-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Hexadecanoyloxyethyl hexadecanoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=624-03-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethylene dipalmitate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=624-03-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethylene glycol dihexadecanoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=624-03-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethylene glycol, dipalmitate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=624-03-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethylene palmitate",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Hexadecanoic acid, 1,1′-(1,2-ethanediyl) ester",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Palmitic acid, ethylene ester",
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      "provenance": [
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        },
        {
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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