isooctyl acetate

General Material Information

Preferred name	isooctyl acetate
Trivial Name	Isooctyl acetate
Short Description	1-heptanol, 6-methyl-, acetate
Formula	C10 H20 O2
CAS Number	31565-19-2
ECHA Number	250-701-2
FDA UNII	Search
NMR Predictor	External link
Synonyms	acetic acid 6-methylheptyl ester acetic acid isooctyl ester acetic acid, isooctyl ester 1-heptanol, 6-methyl-, acetate 6-methylheptyl acetate iso octanol acetate iso octanol, acetate Isooctanol, acetate Isooctyl alcohol, acetate

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
HMDB (The Human Metabolome Database):	HMDB32070
FooDB:	FDB008780
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View

Material listed in food chemical codex	No
Molecular weight	172.26780700684
Boiling Point	195 to 196°C @ 760 mm Hg
Vapor Pressure	0.413 mmHg @ 25 °C
Flash Point TCC Value	77.22 °C TCC
logP (o/w)	3.686 est
Solubility
alcohol	Yes
water, 38.59 mg/L @ 25 °C (est)	Yes


Hazards identification

Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements

Pictogram

Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Category:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice

Recommendation for isooctyl acetate flavor usage levels up to:
	not for flavor use.

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):31565-19-2

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :169321

National Institute of Allergy and Infectious Diseases:Data

6-methylheptyl acetate

Chemidplus:0031565192