2-hexyl butyrate

General Material Information

Preferred name	2-hexyl butyrate
Trivial Name	1-Methylpentyl butanoate
Short Description	butanoic acid, 1-methylpentyl ester
Formula	C10 H20 O2
CAS Number	6963-52-6
FDA UNII	Search
Nikkaji Number	J183.068F
xLogP3-AA	3.20 (est)
Bio Activity Summary	External link
NMR Predictor	External link
Synonyms	butanoic acid, 1-methylpentyl ester hexan-2-yl butanoate 2-hexanol butanoate sec- hexyl butyrate Butyric acid, 1-methylpentyl ester 1-Methylpentyl butanoate NSC 53791

(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
Boiling Point	194 to 195°C @ 760 mm Hg
Vapor Pressure	0.413 mmHg @ 25 °C
Flash Point TCC Value	71.11 °C TCC
logP (o/w)	3.686 est
Solubility
alcohol	Yes
water, 38.59 mg/L @ 25 °C (est)	Yes
water	No


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-hexyl butyrate usage levels up to:
	not for fragrance use.

Recommendation for 2-hexyl butyrate 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 :243670

National Institute of Allergy and Infectious Diseases:Data

hexan-2-yl butanoate