2-pentyl isovalerate

General Material Information

Preferred name	2-pentyl isovalerate
Trivial Name	pentan-2-yl 3-methylbutanoate
Short Description	butanoic acid, 3-methyl-, 1-methylbutyl ester
Formula	C10 H20 O2
CAS Number	597550-02-2
FDA UNII	Search
Nikkaji Number	J520.345G
xLogP3-AA	3.10 (est)
NMR Predictor	External link
Synonyms	butanoic acid, 3-methyl-, 1-methylbutyl ester 1-methyl butyl isovalerate 1-methylbutyl isovalerate pentan-2-yl 3-methylbutanoate 2-pentanol, 3-methylbutanoate

(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):	Search
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View

Material listed in food chemical codex	No
Molecular weight	172.26780700684
Vapor Pressure	0.713 mmHg @ 25 °C
Flash Point TCC Value	65.2 °C TCC
logP (o/w)	3.53 est
Solubility
alcohol	Yes
water, 44.59 mg/L @ 25 °C (est)	Yes
water	No

Odor Type: Fruity
apple, brandy, cooling, fruity, metallic
General comment	At 100.00 %. apple brandy cool fruity metallic


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:
natural substances and extractives
Recommendation for 2-pentyl isovalerate usage levels up to:
	not for fragrance use.

Recommendation for 2-pentyl isovalerate flavor usage levels up to:
	not for flavor use.

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :529497

National Institute of Allergy and Infectious Diseases:Data

pentan-2-yl 3-methylbutanoate