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

Adipic acid, diisooctyl ester
Adipol 10A
Diisooctyl adipate
DIOA
Hexanedioic acid, 1,6-diisooctyl ester
Hexanedioic acid, diisooctyl ester
Isooctyl alcohol, adipate (2:1)

Property	Value
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

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	https://www.wikidata.org/wiki/Q107380577	enrich_references.pubchem_identifier_url

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

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
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    {
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Di-ester Reaction Products Of Linear And Branched Octyl Alcohol With Hexanedioic Acid

Identity

Structure

Alternative labels

Properties

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Elementary flows

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