2-octyldodecyl Isooctadecanoate

2-Octyldodecyl isostearate
Isooctadecanoic acid, 2-octyldodecyl ester

Property	Value
InChI2D key string chemrof:inchi2d_key_string	QNJOVLAFLJQFBF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C38H76O2/c1-5-7-9-11-13-21-25-29-33-37(32-28-24-12-10-8-6-2)35-40-38(39)34-30-26-22-19-17-15-14-16-18-20-23-27-31-36(3)4/h36-37H,5-35H2,1-4H3
IUPAC name chemrof:IUPAC_name	2-octyldodecyl Isooctadecanoate
Molecular formula chemrof:molecular_formula	C38H76O2
Molecular mass chemrof:molecular_mass	565.024
Monoisotopic mass chemrof:monoisotopic_mass	564.584532
SMILES string chemrof:smiles_string	CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(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=93803-87-3	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.089.377	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9VT64134L0	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/44147658	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q27273284	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
6145a3c4-9c3f-433d-b49c-4d64a7a46607	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
b1742b3d-f43e-4119-8f9a-9cc4147534ac	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
331fc4c8-835c-42fc-851a-0f805713a3e0	Environmental → Air → Indoor	EF 3.1	kg	4
655fb399-952b-4f55-aeb1-55bb1719f998	Environmental → Air → Long-term	EF 3.1	kg	0
72b9a802-fb6a-4aef-a646-4b1baf45439c	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
b4a82b55-5447-4369-ad87-11d50d1fb18b	Environmental → Air → Unknown	EF 3.1	kg	4
c7a07064-7980-4c5a-adc8-268033764f3e	Environmental → Ground → Agricultural	EF 3.1	kg	4
a9f7802f-b01b-403d-beb4-e3b203eb3f7a	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
6e038df3-bfe8-4000-b27c-3dd9b1668018	Environmental → Ground → Unknown	EF 3.1	kg	4
18bef982-1411-4eab-b7d6-632d99acd38a	Environmental → Water → Long-term	EF 3.1	kg	0
4ce3c69f-554f-4e42-8d4f-25b85360c72f	Environmental → Water → Ocean	EF 3.1	kg	4
e5fd1c11-7599-4bdc-8697-bfb60bb12a51	Environmental → Water → Surface water	EF 3.1	kg	4
72781636-b7b6-440a-8c93-83c3f9aa174a	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-5b5ad10374b64f1e",
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  "altLabel": [
    {
      "@value": "2-Octyldodecyl isostearate",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Isooctadecanoic acid, 2-octyldodecyl ester",
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}

2-octyldodecyl Isooctadecanoate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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