butyl 3-pentenoate
3-pentenoic acid, butyl ester
 
Notes:
Chamomile replacer.
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CAS Number: 19825-93-5Picture of molecule3D/inchi
XlogP3-AA: 2.30 (est)
Molecular Weight: 156.22492000
Formula: C9 H16 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: information only not used for fragrances or flavors
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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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: 191.00 to  192.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.512000 mmHg @ 25.00 °C. (est)
Flash Point: 159.00 °F. TCC ( 70.40 °C. ) (est)
logP (o/w): 3.122 (est)
Soluble in:
 alcohol
 water, 158.9 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: herbal
 
 chamomile  
Odor Description:
at 10.00 % in dipropylene glycol. 
chamomile
 
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.
butyl (E)-pent-3-enoate
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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: information only not used for fragrances or flavors
Recommendation for butyl 3-pentenoate usage levels up to:
 not for fragrance use.
 
Recommendation for butyl 3-pentenoate 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 : 5462980
National Institute of Allergy and Infectious Diseases: Data
 butyl pent-3-enoate
Chemidplus: 0019825935
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References:
 butyl pent-3-enoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 5462980
Pubchem (sid): 135097820
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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:
 chamomileFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
N-butyl 3-pentenoate
 butyl pent-3-enoate
3-pentenoic acid butyl ester
3-pentenoic acid, butyl ester
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