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(E)-3-hexen-1-yl crotonate

Chemical Structure

General Material Information

Preferred name (E)-3-hexen-1-yl crotonate
Trivial Name (3E)-3-Hexen-1-yl (2E)-2-butenoate
Short Description trans-3-hexenyl crotonate
Formula C10 H16 O2
CAS Number 68938-58-9
ECHA Number 273-131-6
FDA UNII Search
Nikkaji Number J332.767A
xLogP3-AA 2.70 (est)
NMR Predictor External link
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
  • [(E)-hex-3-enyl] (E)-but-2-enoate
  • 2-Butenoic acid, (3E)-3-hexen-1-yl ester, (2E)-
  • 2-Butenoic acid, 3-hexenyl ester, (E,E)-
  • 2-Butenoic acid, (3E)-3-hexenyl ester, (2E)-
  • (3E)-3-Hexen-1-yl (2E)-2-butenoate
  • trans-3-Hexenyl crotonate

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

[(E)-hex-3-enyl] (E)-but-2-enoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):6436990
Pubchem (sid):135061834
Publications by US Patents
8,183,200 - Organoleptic compound
Organoleptic compound

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

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 168.2359161377
Specific gravity @ 25 °C
Pounds per Gallon 7.439 to 7.522
Refractive Index 1.427 to 1.437 @ 20 °C
Boiling Point 223 to 224°C @ 760 mm Hg
Vapor Pressure 0.085 mmHg @ 25 °C
Flash Point TCC Value 96.11 °C TCC
logP (o/w) 3.647 est
Solubility
alcohol Yes
water, 81.27 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Green
green, fresh, dirty, chemical, metallic
General comment At 100.00 %. green, fresh, slightly dirty, chemical, and metallic

Safety Information

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 (E)-3-hexen-1-yl crotonate usage levels up to:
not for fragrance use.

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
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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