Brightway Flows 1.0
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Ditridecyl Adipate

fo-0c20fa46cd6c8714

Identity

Type
Neutral molecule
CAS
16958-92-2
EC
241-029-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Ditridecyl Adipate

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LZJUZSYHFSVIGJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C32H62O4/c1-3-5-7-9-11-13-15-17-19-21-25-29-35-31(33)27-23-24-28-32(34)36-30-26-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
IUPAC name chemrof:IUPAC_name Ditridecyl Adipate
Molecular formula chemrof:molecular_formula C32H62O4
Molecular mass chemrof:molecular_mass 510.844
Monoisotopic mass chemrof:monoisotopic_mass 510.46481
SMILES string chemrof:smiles_string CCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCC

Known URLs

7

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=16958-92-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.037.284 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9027786 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7CCE2L906B enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J125.435I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/85653 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27268069 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
93785205-e296-41a9-8476-d4251d1f45c9 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
ea7aa82b-e91e-4750-9221-74681712ee52 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
7e48387a-b20a-49f7-ae23-4d98a0c0fa67 Environmental → Air → Indoor EF 3.1 kg 2
ef0add5d-4970-43ec-90c1-287dcb956717 Environmental → Air → Long-term EF 3.1 kg 0
7bbeaf49-1b57-4838-a493-8c0b71f6f14c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
afe38e65-5738-49b1-9976-a0176cfee578 Environmental → Air → Unknown EF 3.1 kg 2
7f5d5efe-227c-4b5e-b818-1ac84576be20 Environmental → Ground → Agricultural EF 3.1 kg 2
242b6631-8c53-4da4-99ce-178389c783e5 Environmental → Ground → Non-agricultural EF 3.1 kg 2
d1d3724f-b9d0-486d-9ea8-e1af9aac7bb7 Environmental → Ground → Unknown EF 3.1 kg 2
f619009f-9927-4638-acc8-3a2391d09a81 Environmental → Water → Long-term EF 3.1 kg 0
e1ae1752-9a9c-4f0f-8fc9-cdb659f86386 Environmental → Water → Ocean EF 3.1 kg 2
ea8e95f4-6539-4be7-ad6d-15e6e3cd4460 Environmental → Water → Surface water EF 3.1 kg 2
44a94809-acbf-499d-a37a-c9ec7c6d02c6 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-0c20fa46cd6c8714",
  "prefLabel": [
    {
      "@value": "Ditridecyl Adipate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Tridecanol, adipate (2:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=16958-92-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Adipic acid, ditridecyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
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          "CAS:16958-92-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=16958-92-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bis(tridecyl) adipate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "brightway-flows",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cereplas DTDA",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Emkarate DTDA",
      "@language": "en",
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    },
    {
      "@value": "Esterex A 51",
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        ],
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    },
    {
      "@value": "Hexanedioic acid, 1,6-ditridecyl ester",
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    },
    {
      "@value": "Plasthall DTDA",
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}

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