(E)-3-hexen-1-yl crotonate
trans-3-hexenyl crotonate
 
Notes:
None found
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[(E)-hex-3-enyl] (E)-but-2-enoate (Click)
CAS Number: 68938-58-9Picture of molecule
ECHA EINECS - REACH Pre-Reg: 273-131-6
Nikkaji Web: J332.767A
XlogP3-AA: 2.70 (est)
Molecular Weight: 168.23592000
Formula: C10 H16 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring agents
 
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.89400 to 0.90400 @  25.00 °C.
Pounds per Gallon - (est).: 7.439 to  7.522
Refractive Index: 1.42700 to 1.43700 @  20.00 °C.
Boiling Point: 223.00 to  224.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.085000 mm/Hg @ 25.00 °C. (est)
Flash Point: 205.00 °F. TCC ( 96.11 °C. )
logP (o/w): 3.647 (est)
Soluble in:
 alcohol
 water, 81.27 mg/L @ 25 °C (est)
Insoluble in:
 water
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(Z)-3-hexen-1-yl (E)-crotonate
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Organoleptic Properties:
Odor Type: green
Odor Strength: medium
 green  fresh  dirty  chemical  metallic  
Odor Description:
at 100.00 %. 
green, fresh, slightly dirty, chemical, and metallic
  
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Cosmetic Information:
None found
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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: flavoring agents
Recommendation for (E)-3-hexen-1-yl crotonate usage levels up to:
 not for fragrance use.
 
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Safety References:
European Food Safety Authority (EFSA) reference(s):
Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to Flavouring Group Evaluation 5: Esters of 23 branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and 24 branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5
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Flavouring Group Evaluation 5, Revision 1 (FGE.05Rev1):Esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
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Flavouring Group Evaluation 62 (FGE.62) Consideration of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05 (2005) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06 (2004) (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
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EPI System: View
EPA Substance Registry Services (TSCA): 68938-58-9
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 6436990
National Institute of Allergy and Infectious Diseases: Data
 [(E)-hex-3-enyl] (E)-but-2-enoate
Chemidplus: 0065405803
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References:
 [(E)-hex-3-enyl] (E)-but-2-enoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 6436990
Pubchem (sid): 135061834
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (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:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
(3E)-hex-3-en-1-yl (2E)-but-2-enoate
[(E)-hex-3-enyl] (E)-but-2-enoate
(E)-3-hexen-1-yl (E)-2-butenoate
trans-3-hexen-1-yl crotonate
trans-3-hexen-1-yl trans-2-butenoate
(E)-3-hexenyl crotonate
trans-3-hexenyl crotonate
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