2-pentyl isovalerate
butanoic acid, 3-methyl-, 1-methylbutyl ester
 
Notes:
None found
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CAS Number: 597550-02-2Picture of molecule3D/inchi
Nikkaji Web: J520.345G
XlogP3-AA: 3.10 (est)
Molecular Weight: 172.26780000
Formula: C10 H20 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 184.99 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.713000 mmHg @ 25.00 °C. (est)
Flash Point: 149.00 °F. TCC ( 65.20 °C. ) (est)
logP (o/w): 3.530 (est)
Soluble in:
 alcohol
 water, 44.59 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: fruity
 
Odor Strength: medium
 
 apple  brandy  cooling  fruity  metallic  
Odor Description:
at 100.00 %. 
apple brandy cool fruity metallic
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Aston Chemical
For experimental / research use only.
Butanoic acid, 3-methyl-, (1S)-1-methylbutyl ester
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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: natural substances and extractives
Recommendation for 2-pentyl isovalerate usage levels up to:
 not for fragrance use.
 
Recommendation for 2-pentyl isovalerate flavor usage levels up to:
 not for flavor use.
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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 : 529497
National Institute of Allergy and Infectious Diseases: Data
 pentan-2-yl 3-methylbutanoate
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References:
 pentan-2-yl 3-methylbutanoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 529497
Pubchem (sid): 162429033
Pherobase: View
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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
VCF-Online: VCF Volatile Compounds in Food
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
 banana fruit
Search Trop  Picture
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Synonyms:
 butanoic acid, 3-methyl-, 1-methylbutyl ester
1-methyl butyl isovalerate
1-methylbutyl isovalerate
 pentan-2-yl 3-methylbutanoate
2-pentanol, 3-methylbutanoate
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