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para-cresyl hexanoate
4-methylphenyl hexanoate

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CAS Number: 68141-11-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:268-832-9
Nikkaji Web:J334.098H
XlogP3-AA:3.90 (est)
Molecular Weight:206.28486000
Formula:C13 H18 O2
NMR Predictor:Predict (works with chrome or firefox)
Category:fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 285.00 to 286.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.003000 mm/Hg @ 25.00 °C. (est)
Flash Point: 220.00 °F. TCC ( 104.44 °C. )
logP (o/w): 4.118 (est)
Soluble in:
 alcohol
 water, 12.77 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Berjé
para-Cresyl Caproate
Happening at Berje
Ernesto Ventós
para-CRESYL HEXANOATE
 
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: fragrance agents
 
Recommendation for para-cresyl hexanoate flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):68141-11-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :109637
National Institute of Allergy and Infectious Diseases:Data
(4-methylphenyl) hexanoate
Chemidplus:0068141117
 
References:
 (4-methylphenyl) hexanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:68141-11-7
Pubchem (cid):109637
Pubchem (sid):135064930
 
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
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
p-cresyl hexanoate
 hexanoic acid (4-methyl phenyl) ester
 hexanoic acid (4-methylphenyl) ester
 hexanoic acid 4-methyl phenyl ester
 hexanoic acid 4-methylphenyl ester
 hexanoic acid, (4-methylphenyl) ester
 hexanoic acid, 4-methylphenyl ester
4-methylphenyl hexanoate
(4-methylphenyl) hexanoate
p-tolyl hexanoate
para-tolyl hexanoate
 

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Notes:
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