3-methyl pentyl angelate

General Material Information

Preferred name	3-methyl pentyl angelate
Trivial Name	3-Methylpentyl (2Z)-2-methyl-2-butenoate
Short Description	2-butenoic acid, 2-methyl-, 3-methylpentyl ester, (2Z)-
Formula	C11 H20 O2
CAS Number	53082-58-9
ECHA Number	258-350-7
FDA UNII	Search
Nikkaji Number	J68.567D
xLogP3-AA	3.50 (est)
NMR Predictor	External link
Synonyms	angelate-630 2-butenoic acid, 2-methyl-, 3-methylpentyl ester, (2Z)- 2-butenoic acid, 2-methyl-, 3-methylpentyl ester, (Z)- 3-methyl pentyl (Z)-2-methyl-2-butenoate 3-methyl pentyl 2-methyl isocrotonate 3-methylpentyl (2Z)-2-methylbut-2-enoate 3-methylpentyl (Z)-2-methylbut-2-enoate 3-methylpentyl angelate 3-methylpentyl (Z)-2-methylbut-2-enoate 2-Butenoic acid, 2-methyl-, 3-methylpentyl ester, (2Z)- 2-Butenoic acid, 2-methyl-, 3-methylpentyl ester, (Z)- 3-Methylpentyl (2Z)-2-methyl-2-butenoate 3-Methylamyl angelate 3-Methylpentyl angelate 3-Methylpentyl2-methylisocrotonate

(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
FooDB:	FDB004818
Typical G.C.
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View

Material listed in food chemical codex	No
Molecular weight	184.27879333496
Boiling Point	228 to 230°C @ 760 mm Hg
Vapor Pressure	0.069 mmHg @ 25 °C
Flash Point TCC Value	84.6 °C TCC
logP (o/w)	4.341 est
Solubility
alcohol	Yes
water, 17.56 mg/L @ 25 °C (est)	Yes
water	No

Odor Type: Woody
woody, floral, celery, seedy, chamomile
General comment	At 100.00 %. woody floral celery seed chamomile


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 3-methyl pentyl angelate flavor usage levels up to:
	not for flavor use.

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):53082-58-9

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :6437020

National Institute of Allergy and Infectious Diseases:Data

3-methylpentyl (Z)-2-methylbut-2-enoate

Chemidplus:0053082589