3,5,5-trimethylhexyl Acetate

1-Hexanol, 3,5,5-trimethyl-, 1-acetate
1-Hexanol, 3,5,5-trimethyl-, acetate
Neononyl acetate
Vanoris

Property	Value
InChI2D key string chemrof:inchi2d_key_string	DGKXDLCVQSQVBC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C11H22O2/c1-9(8-11(3,4)5)6-7-13-10(2)12/h9H,6-8H2,1-5H3
IUPAC name chemrof:IUPAC_name	3,5,5-trimethylhexyl Acetate
Molecular formula chemrof:molecular_formula	C11H22O2
Molecular mass chemrof:molecular_mass	186.295
Monoisotopic mass chemrof:monoisotopic_mass	186.16198
SMILES string chemrof:smiles_string	CC(=O)OCCC(C)CC(C)(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=58430-94-7	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.049.890	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.055.659	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID0041270	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3188283	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9HMD71U17Z	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J74.802A	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/42745	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#1993	enrich_references.pubchem_identifier_url
wikidata.org	https://www.wikidata.org/wiki/Q2823829	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
f249bc0c-2c55-410d-8bdf-291848d328ec	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
e5993a7a-9d05-4bc3-a6f0-2ec5187c221c	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
7fa7816f-69ea-41e8-982c-e9959fe1d10d	Environmental → Air → Indoor	EF 3.1	kg	4
d650fef2-3d69-4f73-9047-3906cbc36c4e	Environmental → Air → Long-term	EF 3.1	kg	0
9e916f9f-7751-4eb9-8ba5-a485885298e6	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
a1d28aa3-fc4d-4e5c-99bf-27d191ddc05d	Environmental → Air → Unknown	EF 3.1	kg	4
04f78b0b-c203-4477-b0d7-ed68fac0d216	Environmental → Ground → Agricultural	EF 3.1	kg	4
9f238f8c-0d9e-424f-9779-e5c21dbffb96	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
c33a089f-0dac-4f23-9829-37d0712c823f	Environmental → Ground → Unknown	EF 3.1	kg	4
9ebd8c86-e610-47e6-b9f3-3036002c2650	Environmental → Water → Long-term	EF 3.1	kg	0
470b688e-adf1-4425-8444-4b71d1261ebd	Environmental → Water → Ocean	EF 3.1	kg	4
8f13016c-19f8-467f-845f-4483ff1ccfea	Environmental → Water → Surface water	EF 3.1	kg	4
499e4736-930e-44b8-809a-cd6393c7425f	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

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3,5,5-trimethylhexyl Acetate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

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