Consensus flow list

Identity

Type
Neutral molecule
CAS
1330-86-5
EC
215-553-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Di-ester Reaction Products Of Linear And Branched Octyl Alcohol With Hexanedioic Acid

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BXGUUVBSRYSHDJ-UHFFFAOYSA-N, CJFLBOQMPJCWLR-UHFFFAOYSA-N, NLDIKPYEHYRZBW-UHFFFAOYSA-L, RTUMJAGKSDIHOW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C22H42O4/c1-19(2)13-7-5-11-17-25-21(23)15-9-10-16-22(24)26-18-12-6-8-14-20(3)4/h19-20H,5-18H2,1-4H3
IUPAC name chemrof:IUPAC_name Adipic acid, diisooctyl ester
Molecular formula chemrof:molecular_formula C22H40O4-2, C22H42O4, C22H46O4
SMILES string chemrof:smiles_string CC(C)CCCCCOC(=O)CCCCC(=O)OCCCCCC(C)C

Known URLs

12

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=1330-86-5 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.275 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.014.140 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6026795 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6197 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2TLQ9O0CWB enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J193.573I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/156614033 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/19696790 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/61022 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1794890 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q107380577 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
197dd59c-ce68-443c-bf1d-675bd2b1f607 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
5618dee5-0b37-4650-bfb9-56b1104bbc0e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
73abf014-c6fc-4f71-99c3-c3dd5a37bb1d Environmental → Air → Indoor EF 3.1 kg 4
71ceae87-c800-45d7-85d6-bffd1111bc92 Environmental → Air → Long-term EF 3.1 kg 0
6969a6a6-389f-48d2-abdc-d80f1093624f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
b8a53609-5b53-4bbb-9718-95325b10ec17 Environmental → Air → Unknown EF 3.1 kg 4
e0ccf2ff-500b-4023-b013-924e171b7b48 Environmental → Ground → Agricultural EF 3.1 kg 4
06647e7a-1fd9-4a1e-8987-1a603b4f837b Environmental → Ground → Non-agricultural EF 3.1 kg 4
a57eda81-00f6-4aa9-b47a-40662f98b32c Environmental → Ground → Unknown EF 3.1 kg 4
5c30ed3d-1f11-44bc-b6aa-bbc2c90dacf1 Environmental → Water → Long-term EF 3.1 kg 0
814d4813-bc77-405d-81be-df3bc11d8731 Environmental → Water → Ocean EF 3.1 kg 4
48e1a921-8299-42ae-aed1-73f3a425b58b Environmental → Water → Surface water EF 3.1 kg 4
61f43e9c-b980-48b2-992c-64a817298f37 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-dece7aed9e3bee7f",
  "prefLabel": [
    {
      "@value": "Di-ester Reaction Products Of Linear And Branched Octyl Alcohol With Hexanedioic Acid",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Adipic acid, diisooctyl ester",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Adipol 10A",
      "@language": "en",
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      }
    },
    {
      "@value": "Diisooctyl adipate",
      "@language": "en",
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    },
    {
      "@value": "DIOA",
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    },
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