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2,2-dimethyl-3-phenyl propionaldehyde
benzenepropanal, a,a-dimethyl-

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Name:2,2-dimethyl-3-phenylpropanal
CAS Number: 1009-62-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:213-771-5
Nikkaji Web:J217.125B
CoE Number:598
XlogP3-AA:2.50 (est)
Molecular Weight:162.23178000
Formula:C11 H14 O
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring 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
FLAVIS Number:05.054 (Old)
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 227.00 to 229.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.073000 mm/Hg @ 25.00 °C. (est)
Flash Point: 204.00 °F. TCC ( 95.56 °C. )
logP (o/w): 2.545 (est)
Soluble in:
 alcohol
 water, 221.3 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: ocean
Odor Strength:medium
fresh marine
Odor Description:at 100.00 %. fresh marine
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
BOC Sciences
For experimental / research use only.
2,2-Dimethyl-3-phenylpropanal
Shijiazhuang Donglian Nankai Aroma Chemicals
2,2-Dimethyl-3-phenylpropionaldehyde
Odor: clear and fresh seabreeze breath
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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
 
Pictogram
 
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:
Category: flavoring agents
Recommendation for 2,2-dimethyl-3-phenyl propionaldehyde usage levels up to:
 not for fragrance use.
 
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):1009-62-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :70520
National Institute of Allergy and Infectious Diseases:Data
2,2-dimethyl-3-phenylpropanal
Chemidplus:0001009627
 
References:
 2,2-dimethyl-3-phenylpropanal
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:1009-62-7
Pubchem (cid):70520
Pubchem (sid):135026204
 
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:2912.49.0000
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 benzenepropanal, a,a-dimethyl-
2,2-dimethyl-3-phenyl propanal
2,2-dimethyl-3-phenylpropanal
2,2-dimethyl-3-phenylpropionaldehyde
 phenyl neopentanal
 

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Notes:
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