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2-pentyl valerate
pentanoic acid, 1-methylbutyl ester

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Name:pentan-2-yl pentanoate
CAS Number: 89155-38-4Picture of molecule3D/inchi
FDA UNII: Search
Nikkaji Web:J520.342B
Beilstein Number:1702921
XlogP3-AA:3.20 (est)
Molecular Weight:172.26780000
Formula:C10 H20 O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
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Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 195.72 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.413000 mmHg @ 25.00 °C. (est)
Flash Point: 161.00 °F. TCC ( 71.40 °C. ) (est)
logP (o/w): 3.712 (est)
Soluble in:
 alcohol
 water, 38.59 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2-Pentyl Valerate
 
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:
natural substances and extractives
Recommendation for 2-pentyl valerate usage levels up to:
 not for fragrance use.
 
Recommendation for 2-pentyl valerate 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 :559056
National Institute of Allergy and Infectious Diseases:Data
pentan-2-yl pentanoate
 
References:
 pentan-2-yl pentanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):559056
Pubchem (sid):163269008
 
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
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 banana fruit
Search Trop Picture
 
Synonyms:
sec-amyl valerate
1-methyl butyl pentanoate
1-methyl butyl valerate
1-methylbutyl pentanoate
1-methylbutyl valerate
 pentan-2-yl pentanoate
 pentan-2-yl valerate
 pentanoic acid, 1-methylbutyl ester
 pentanoic acid, 2-pentyl ester
 
 
Notes:
None found
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