Consensus flow list

Identity

Type
Neutral molecule
CAS
12645-31-7
EC
235-741-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Reaction Mass Of Bis(2-ethylhexyl) Hydrogen Phosphate And 2-ethylhexyl Dihydrogen Phosphate And Esters Of 2-ethylhexan-1-ol With Diphosphoric Acid

Alternative labels

13

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FZQYZMODYSBPES-UHFFFAOYSA-N, LJKDOMVGKKPJBH-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string InChI=1S/C8H19O4P/c1-3-5-6-8(4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11)/p-2
IUPAC name chemrof:IUPAC_name 2-Ethylhexyl phosphate
Molecular formula chemrof:molecular_formula C8H17O4P-2, C8H21O5P
SMILES string chemrof:smiles_string CCCCC(CC)COP(=O)([O-])[O-]

Known URLs

3

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=12645-31-7 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.032.479 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/83024 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
c19de2b2-6a81-42c1-bda4-d3572612ac73 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
59eeb575-8e78-4f79-ac38-dbf29d0cb7c1 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
cc9f1846-9c73-41de-a6e7-7c0567f5cafe Environmental → Air → Indoor EF 3.1 kg 4
63963f24-eca4-4bbd-a533-ed5565e2d822 Environmental → Air → Long-term EF 3.1 kg 0
1c13af29-d47d-4105-b705-c5df2129b36a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
e02674b0-cfbf-459a-a831-665a0d95f760 Environmental → Air → Unknown EF 3.1 kg 4
8d04aa08-1ba5-4d53-bdd4-505e077eae7a Environmental → Ground → Agricultural EF 3.1 kg 4
306c60fe-8981-4e47-862f-da03bb8e3ae7 Environmental → Ground → Non-agricultural EF 3.1 kg 4
50b567fc-1dcf-442c-bdb3-31b761387787 Environmental → Ground → Unknown EF 3.1 kg 4
85bac8c2-f4a3-4858-bb29-31a9f650c35a Environmental → Water → Long-term EF 3.1 kg 0
a622872d-c11a-42fe-9c25-c60108cbe6d5 Environmental → Water → Ocean EF 3.1 kg 4
b86358c5-689e-46f8-b783-b8b668823dbf Environmental → Water → Surface water EF 3.1 kg 4
56f86812-83e2-4b6b-8474-1b1ed23aafa3 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-1842a1a428826bf5",
  "prefLabel": [
    {
      "@value": "Reaction Mass Of Bis(2-ethylhexyl) Hydrogen Phosphate And 2-ethylhexyl Dihydrogen Phosphate And Esters Of 2-ethylhexan-1-ol With Diphosphoric Acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Ethylhexyl acid phosphate",
      "@language": "en",
      "@lang": "en",
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        ],
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      }
    },
    {
      "@value": "2-Ethylhexyl phosphate",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2EHAPO4",
      "@language": "en",
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    },
    {
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    },
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    {
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      "@value": "Phosphoric acid, 2-ethylhexyl ester",
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        ],
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    },
    {
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    },
    {
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        "C8H17O4P-2",
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        ],
        "C8H17O4P-2": [
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        ]
      },
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    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
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        "FZQYZMODYSBPES-UHFFFAOYSA-N",
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      "rdfs:label": "InChIKey",
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  "@type": [
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}

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