EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes

beta-phenethyl angelate
2-butenoic acid, 2-methyl-, 2-phenylethyl ester, (2Z)-

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Name:2-phenylethyl (Z)-2-methylbut-2-enoate
CAS Number: 61692-79-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:262-902-2
FDA UNII: Search
Nikkaji Web:J279.689I
XlogP3-AA:3.30 (est)
Molecular Weight:204.26892000
Formula:C13 H16 O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:information only not used for fragrances or flavors
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 306.34 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.001000 mmHg @ 25.00 °C. (est)
Flash Point: 334.00 °F. TCC ( 167.80 °C. ) (est)
logP (o/w): 3.540 (est)
Soluble in:
 water, 19.95 mg/L @ 25 °C (est)
Organoleptic Properties:
Odor Type: floral
rose woody orris
Odor Description:at 100.00 %. rose woody orris
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
BOC Sciences
For experimental / research use only.
Phenethyl 2-methylisocrotonate
Safety Information:
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
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
Safety in Use Information:
information only not used for fragrances or flavors
Recommendation for beta-phenethyl angelate usage levels up to:
 not for fragrance use.
Recommendation for beta-phenethyl angelate flavor usage levels up to:
 not for flavor use.
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6432903
National Institute of Allergy and Infectious Diseases:Data
2-phenylethyl (Z)-2-methylbut-2-enoate
 2-phenylethyl (Z)-2-methylbut-2-enoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6432903
Pubchem (sid):135212890
Other Information:
(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
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 not found in nature
2-butenoic acid, 2-methyl-, 2-phenylethyl ester, (2Z)-
 phenethyl 2-methyl isocrotonate
 phenethyl 2-methylisocrotonate
2-phenylethyl (2Z)-2-methylbut-2-enoate
2-phenylethyl (Z)-2-methylbut-2-enoate
beta-phenylethyl angelate
None found
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