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heptyl crotonate
2-butenoic acid, heptyl ester

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CAS Number: 16930-99-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:240-999-2
FDA UNII: Search
XlogP3:3.80 (est)
Molecular Weight:184.27880000
Formula:C11 H20 O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Also(can) Contains:heptyl (E)-crotonate
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Boiling Point: 229.00 to 231.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.049000 mmHg @ 25.00 °C. (est)
Flash Point: 222.00 °F. TCC ( 105.56 °C. )
logP (o/w): 4.354 (est)
Soluble in:
 alcohol
 water, 16.97 mg/L @ 25 °C (est)
Insoluble in:
 water
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(Z)-3-hexen-1-yl (E)-crotonate
(E)-3-hexen-1-yl crotonate
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isopropyl (E)-crotonate
propyl crotonate
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Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Heptyl Crotonate
Grau Aromatics
HEPTYL-CROTONATE
SRS Aromatics
HEPTYL CROTONATE
 
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:
flavoring agents
Recommendation for heptyl crotonate usage levels up to:
 not for fragrance use.
 
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):16930-99-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :86095
National Institute of Allergy and Infectious Diseases:Data
heptyl but-2-enoate
Chemidplus:0016930997
 
References:
 heptyl but-2-enoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):86095
Pubchem (sid):135044583
 
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
Export Tariff Code:2916.19.7000
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2-butenoic acid heptyl ester
2-butenoic acid, heptyl ester
 heptyl 2-butenoate
 heptyl but-2-enoate
 

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Notes:
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