Consensus flow list

Identity

Type
Neutral molecule
CAS
29806-73-3
EC
249-862-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2-ethylhexyl Palmitate

Alternative labels

31

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string SFAAOBGYWOUHLU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C24H48O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-21-24(25)26-22-23(6-3)20-8-5-2/h23H,4-22H2,1-3H3
IUPAC name chemrof:IUPAC_name 2-ethylhexyl Palmitate
Molecular formula chemrof:molecular_formula C24H48O2
Molecular mass chemrof:molecular_mass 368.646
Monoisotopic mass chemrof:monoisotopic_mass 368.365431
SMILES string chemrof:smiles_string CCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC

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=29806-73-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.045.314 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3027958 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2865993309 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J24.704I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/62851 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1426380 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q126678052 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Ethylhexyl_palmitate enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
621375f6-c596-43b5-9e1c-4108afa9b78a Environmental → Air → Aircraft cruise height EF 3.1 kg 4
99b7ccf8-e465-416f-80d1-6df0fed37beb Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
7942f1b3-0b03-43e3-937c-2f862e2f38ab Environmental → Air → Indoor EF 3.1 kg 4
a3379b85-dc52-46c9-a68b-7e97bbaef835 Environmental → Air → Long-term EF 3.1 kg 0
b991e2f4-7858-4e0d-9631-f45c40e732ca Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
ba19267f-accd-4aa6-a8f9-625a0c3b36a5 Environmental → Air → Unknown EF 3.1 kg 4
184ec348-1b4f-4f6c-94a5-671fad97bab1 Environmental → Ground → Agricultural EF 3.1 kg 4
4b4c7370-54c6-40f9-a702-9f554c2aa08d Environmental → Ground → Non-agricultural EF 3.1 kg 4
7d5860e7-0940-4de6-b68e-1995b8bc5fe1 Environmental → Ground → Unknown EF 3.1 kg 4
8688b654-6a82-4ae3-b2c5-732590887b38 Environmental → Water → Long-term EF 3.1 kg 0
6dd82a28-162e-4df1-a33e-7022b6f8db68 Environmental → Water → Ocean EF 3.1 kg 4
c378c3b3-55fa-48e3-8748-71d38bd61b67 Environmental → Water → Surface water EF 3.1 kg 4
25f9415f-60fc-43b5-953c-8ac9b036b9cd 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-3c02ae4e4d385048",
  "prefLabel": [
    {
      "@value": "2-ethylhexyl Palmitate",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Ethylhexyl hexadecanoate",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Ethylhexyl palmate",
      "@language": "en",
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    },
    {
      "@value": "Botanester EHP",
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      }
    },
    {
      "@value": "Cegesoft C 24",
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    },
    {
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    },
    {
      "@value": "Crodamol OP",
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    },
    {
      "@value": "DUB PO",
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      }
    },
    {
      "@value": "Ethylhexyl palmitate",
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    {
      "@value": "Exceparl EH-P",
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      "@value": "Exepal EH-P",
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    },
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      "@value": "FineNeo IOP",
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    },
    {
      "@value": "Hexadecanoic acid, 2-ethylhexyl ester",
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    },
    {
      "@value": "Jeechem Op",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Kessco Octyl Palmitate",
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      }
    },
    {
      "@value": "Kessco OP",
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      }
    },
    {
      "@value": "Koyo POC",
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        ],
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      }
    },
    {
      "@value": "Lexol EHP",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Neosolue-IOP",
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      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Nikkol SG-IOP",
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    },
    {
      "@value": "Nissan Unister MB 816",
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      }
    },
    {
      "@value": "Octyl palmitate",
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      }
    },
    {
      "@value": "Palmitic acid, 2-ethylhexyl ester",
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        ],
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      }
    },
    {
      "@value": "Palmitic acid-2-ethylhexyl monoester",
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        ],
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      }
    },
    {
      "@value": "Pastell 2H16",
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        ],
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      }
    },
    {
      "@value": "Protachem OP",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Saboderm OP",
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      }
    },
    {
      "@value": "Salacos P 8",
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    },
    {
      "@value": "Schercemol OP",
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      }
    },
    {
      "@value": "Tegosoft O",
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    },
    {
      "@value": "Tegosoft OP",
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    },
    {
      "@value": "Unister MB 816",
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  ],
  "properties": {
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        "C24H48O2"
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC"
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      "provenance": [
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      "attested_by": {
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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}

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