para-anisyl isovalerate
4-hydroxybenzyl 3-methylbutanoate
 
Notes:
None found
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CAS Number: 68922-04-3Picture of molecule3D/inchi
Nikkaji Web: J441.245A
XlogP3: 2.90 (est)
Molecular Weight: 208.25712000
Formula: C12 H16 O3
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 311.00 to  312.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.000300 mmHg @ 25.00 °C. (est)
Flash Point: 260.00 °F. TCC ( 126.67 °C. )
logP (o/w): 2.717 (est)
Soluble in:
 alcohol
 water, 413.1 mg/L @ 25 °C (est)
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(Z)-3-hexen-1-yl valerate
(Z)-3-hexen-1-yl isovalerate
hexyl valerate
hexyl isovalerate
linalyl valerate
linalyl isovalerate
menthyl valerate
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octyl valerate
octyl isovalerate
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S-prenyl thioisovalerate
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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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
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Safety in Use Information:
Category: flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 68922-04-3
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 111779
National Institute of Allergy and Infectious Diseases: Data
 (4-hydroxyphenyl)methyl 3-methylbutanoate
Chemidplus: 0068922043
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References:
 (4-hydroxyphenyl)methyl 3-methylbutanoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 111779
Pubchem (sid): 135066935
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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
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
p-anisyl isovalerate
 butanoic acid, 3-methyl-, (4-hydroxyphenyl)methyl ester
4-hydroxybenzyl 3-methylbutanoate
(4-hydroxyphenyl)methyl 3-methylbutanoate
(4-hydroxyphenyl)methyl isovalerate
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