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3-(3-tert-butyl phenyl) propanal
3-[3-(2-methyl-2-propanyl)phenyl]propanal

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CAS Number: 1023288-21-2Picture of molecule3D/inchi
FDA UNII: Search
XlogP3-AA:3.30 (est)
Molecular Weight:190.28566000
Formula:C13 H18 O
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
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Google Scholar: with word "flavor"Search
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Google Patents:Search
US Patents:Search
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Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 257.10 °C. @ 760.00 mm Hg (est)
Flash Point: 228.00 °F. TCC ( 108.70 °C. ) (est)
logP (o/w): 3.720 (est)
Soluble in:
 water, 21.05 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: floral
aldehydic floral rubbery
Odor Description:aldehydic, floral, rubber
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Benzenepropanal, 3-(1,1-dimethylethyl)-
 
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:
information only not used for fragrances or flavors
Recommendation for 3-(3-tert-butyl phenyl) propanal usage levels up to:
 not for fragrance use.
 
Recommendation for 3-(3-tert-butyl phenyl) propanal 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 :57429407
National Institute of Allergy and Infectious Diseases:Data
3-(3-tert-butylphenyl)propanal
 
References:
 3-(3-tert-butylphenyl)propanal
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):57429407
Pubchem (sid):254797486
 
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
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, 3-(1,1-dimethylethyl)-
3-(3-tert-butylphenyl)propanal
3-[3-(2-methyl-2-propanyl)phenyl]propanal
 
 
Notes:
None found
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