3-isopentenyl isovalerate
butanoic acid, 3-methyl-, 3-methyl-3-buten-1-yl ester
 
Notes:
None found
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CAS Number: 54410-94-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 259-156-5
Nikkaji Web: J102.308J
XlogP3-AA: 3.10 (est)
Molecular Weight: 170.25186000
Formula: C10 H18 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 207.00 to  209.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.214000 mmHg @ 25.00 °C. (est)
Flash Point: 163.00 °F. TCC ( 72.80 °C. ) (est)
logP (o/w): 3.323 (est)
Soluble in:
 alcohol
 water, 46.18 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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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
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EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 549297
National Institute of Allergy and Infectious Diseases: Data
 3-methylbut-3-enyl 3-methylbutanoate
Chemidplus: 0054410945
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References:
 3-methylbut-3-enyl 3-methylbutanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 54410-94-5
Pubchem (cid): 549297
Pubchem (sid): 135233860
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
Typical G.C.
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
 artemisia annua herb oil france @ 0.00-0.31%
Data  GC  Search Trop  Picture
 cashew apple juice
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 guava leaf
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 juniperus sibirica
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Synonyms:
 butanoic acid, 3-methyl-, 3-methyl-3-buten-1-yl ester
3-methyl but-3-enyl 3-methyl butanoate
3-methyl but-3-enyl isovalerate
3-methyl-3-buten-1-yl isovalerate
3-methylbut-3-enyl 3-methylbutanoate
3-methylbut-3-enyl isovalerate
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