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methyl benzyl carbinyl acetate
acetic acid, a-methyl-phenethyl ester

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Fragrance Demo Formulas
Name:1-phenylpropan-2-yl acetate
CAS Number: 2114-33-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:218-314-3
Nikkaji Web:J71.021K
MDL:MFCD01672540
XlogP3:2.60 (est)
Molecular Weight:178.23098000
Formula:C11 H14 O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:fragrance agents
 
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
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
 
Physical Properties:
Appearance:colorless clear liquid (est)
Food Chemicals Codex Listed: No
Boiling Point: 245.00 to 246.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.028000 mm/Hg @ 25.00 °C. (est)
Flash Point: 217.00 °F. TCC ( 102.78 °C. )
logP (o/w): 2.652 (est)
Soluble in:
 water, 157.2 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Santa Cruz Biotechnology
For experimental / research use only.
1-Methyl-2-phenylethyl Acetate
TCI AMERICA
For experimental / research use only.
1-Methyl-2-phenylethyl Acetate >95.0%(GC)
 
Safety Information:
Preferred SDS: View
 
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:
oral-rat LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 737, 1982.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 20, Pg. 737, 1982.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: fragrance agents
Recommendation for methyl benzyl carbinyl acetate usage levels up to:
  6.0000 % in the fragrance concentrate.
 
Recommendation for methyl benzyl carbinyl acetate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):2114-33-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :16457
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
1-phenylpropan-2-yl acetate
Chemidplus:0002114332
RTECS:AI9316000 for cas# 2114-33-2
 
References:
 1-phenylpropan-2-yl acetate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:2114-33-2
Pubchem (cid):16457
Pubchem (sid):134982524
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
Export Tariff Code:2915.39.3500
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 acetic acid, a-methyl-phenethyl ester
2-acetoxy-1-phenyl propane
2-acetoxy-1-phenylpropane
 benzeneethanol, a-methyl-, acetate
 benzyl methyl carbinyl acetate
 benzylmethylcarbinyl acetate
alpha-methyl phenethyl acetate
1-methyl-2-phenylethyl acetate
alpha-methyl-beta-phenyl ethyl acetate
 methylbenzylcarbinyl acetate
a-methylphenethyl acetate
 phenethyl alcohol, a-methyl-, acetate
1-phenyl-2-propanol acetate
1-phenylpropan-2-yl acetate
 

Articles:

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Notes:
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