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(Z)-3-hexen-1-yl (E)-crotonate
(Z)-3-hexenyl (E)-2-butenoate

Sponsors

Name:[(Z)-hex-3-enyl] (E)-but-2-enoate
CAS Number: 65405-80-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:265-746-3
FDA UNII:4SW5S1T63S
Nikkaji Web:J150.346D
MDL:MFCD00059903
CoE Number:9566
XlogP3-AA:2.70 (est)
Molecular Weight:168.23592000
Formula:C10 H16 O2
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
CASrn in Register refers to (Z)-isomer in alcohol moiety & (E)-isomer in acid moiety. Register name to be changed to Hex-(3Z)-enyl but-(2E)-enoate.
Category:flavor and fragrance 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
JECFA Food Flavoring:1276 (Z)-3-hexenyl (E)-2-butenoate
FLAVIS Number:09.566 (Old)
DG SANTE Food Flavourings:09.566 (3Z)-hexenyl (E)-but-2-enoate
FEMA Number:3982 (Z)-3-hexenyl (E)-2-butenoate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 3-HEXENYL CROTONATE, CIS-
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 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: 107.00 °C. @ 25.00 mm Hg
Boiling Point: 218.00 to 219.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.085200 mm/Hg @ 25.00 °C. (est)
Flash Point: 202.00 °F. TCC ( 94.44 °C. )
logP (o/w): 3.647 (est)
Soluble in:
 alcohol
 water, 81.27 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
allyl crotonate
isoamyl crotonate
apple crotonate
benzyl crotonate
butyl (E)-2-crotonate
citronellyl crotonate
cyclohexyl crotonate
dimethyl benzyl carbinyl crotonate
ethyl (E)-2-crotonate
ethyl crotonate
fig crotonate
geranyl crotonate
heptyl crotonate
(E)-3-hexen-1-yl crotonate
hexyl (E)-crotonate
octyl crotonate
phenethyl crotonate
3-phenyl propyl crotonate
plum crotonate
isopropyl (E)-crotonate
propyl crotonate
isopropyl 3-methyl thiocrotonate
 
Organoleptic Properties:
Odor Type: green
Odor Strength:medium
green vegetable
Odor Description:at 100.00 %. green vegetable
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Alfrebro
cis-3-HEXENYL CROTONATE NATURAL
Odor: Leafy, Green, Vegetable
Apiscent Labs
C3 HEXENYL CROTONATE
Odor: Green, fruity, plum-like top note
BOC Sciences
For experimental / research use only.
cis-3-Hexenyl crotonate
Grau Aromatics
HEXENYL-cis-3-CROTONATE
NI, Kosher
Parchem
(Z)-3-hexen-1-yl (E)-crotonate
Penta International
cis-3-HEXENYL CROTONATE, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
cis-3-Hexen-1-yl Crotonate
Sigma-Aldrich
cis-3-Hexenyl crotonate ≥97%
Certified Food Grade Products
SRS Aromatics
HEXENYL CIS 3 CROTONATE
TCI AMERICA
For experimental / research use only.
cis-3-Hexen-1-yl Crotonate >95.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36 - Irritating to eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
 
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: flavor and fragrance agents
Recommendation for (Z)-3-hexen-1-yl (E)-crotonate usage levels up to:
  2.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.24 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.20 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 20
 average usual ppmaverage maximum ppm
baked goods: 2.000005.00000
beverages(nonalcoholic): 2.000004.00000
beverages(alcoholic): 0.500003.00000
breakfast cereal: 0.500005.00000
cheese: --
chewing gum: 5.00000100.00000
condiments / relishes: --
confectionery froastings: 20.0000050.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: 2.000005.00000
fruit ices: 1.000005.00000
gelatins / puddings: 2.000005.00000
granulated sugar: 0.200001.00000
gravies: 0.500003.00000
hard candy: 20.0000050.00000
imitation dairy: 2.000005.00000
instant coffee / tea: --
jams / jellies: 2.0000010.00000
meat products: 0.500008.00000
milk products: 0.500002.00000
nut products: 0.500002.00000
other grains: --
poultry: --
processed fruits: 0.500002.00000
processed vegetables: 0.500002.00000
reconstituted vegetables: --
seasonings / flavors: 0.200001.00000
snack foods: --
soft candy: 5.0000010.00000
soups: 0.500002.00000
sugar substitutes: 0.500002.00000
sweet sauces: 0.500003.00000
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

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)
View page or View pdf

Flavouring Group Evaluation 5, Revision 2 (FGE.05Rev2): Branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols from chemical groups 1, 2, 3 and 5
View page or View pdf

Flavouring Group Evaluation 62 Rev1 (FGE.62 Rev1): Consideration of of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st and 68th meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06Rev1 (2008)
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):65405-80-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :16220110
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
[(Z)-hex-3-enyl] (E)-but-2-enoate
Chemidplus:0065405803
 
References:
 [(Z)-hex-3-enyl] (E)-but-2-enoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):16220110
Pubchem (sid):135061834
 
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
FDA Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB32319
FooDB:FDB009569
Export Tariff Code:2916.19.5000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
citrus
neroli ketone
FR
floral
allyl anthranilate
FL/FR
geranium pyran
FR
geranium specialty
FR
fruity
(E)-2-
hexen-1-ol
FL/FR
2-
hexen-1-ol
FL/FR
tropical thiazole
FL/FR
green
acetaldehyde butyl phenethyl acetal
FL/FR
acetaldehyde di-(Z)-3-hexen-1-yl acetal
FL/FR
acetaldehyde dipropyl acetal
FL/FR
acetaldehyde ethyl phenethyl acetal
FL/FR
bromstyrol
CS
3,5,6-neo
cyclocitral
FR
1-
heptanol
FL/FR
(Z)-4-
heptenal
FL/FR
heptyl cinnamate
FL/FR
(Z)-2-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl benzoate
FL/FR
(Z)-3-
hexen-1-yl lactate
FL/FR
(Z)-3-
hexen-1-yl methyl carbonate
FL/FR
3-
hexenal
FL/FR
4-
hexenol
FL/FR
hexoxyacetaldehyde dimethyl acetal
FR
hexyl heptanoate
FL/FR
lawsonia inermis leaf oil CO2 extract
FR
(Z)-
leaf acetal
FL/FR
methyl heptine carbonate
FL/FR
(E,Z)-2,6-
nonadien-1-yl acetate
FL/FR
2-
octen-1-ol
FL/FR
(Z)-5-
octen-1-yl propionate
FL/FR
1-
penten-3-ol
FL/FR
3-
phenyl propionaldehyde
FL/FR
iso
propyl phenyl propionaldehyde
FR
rosa damascena leaf absolute
FR
rosacyanthin
FR
rose leaf absolute (rosa centifolia)
FL/FR
styralyl acetate
FL/FR
violet leaf oil (viola odorata)
FL/FR
herbal
sweet
basil absolute
FL/FR
herbal heptane
FR
lovage tincture
FL/FR
melon
(Z)-6-
nonen-1-ol
FL/FR
minty
iso
propyl tiglate
FL/FR
iso
pulegyl formate
FL/FR
sulfurous
grapefruit menthane
FL/FR
3-(
methyl thio) hexanol
FL/FR
waxy
methyl butyl phenyl acetate
FL/FR
For Flavor
No flavor group found for these
acetaldehyde di-(Z)-3-hexen-1-yl acetal
FL/FR
allyl anthranilate
FL/FR
2-
ethyl-4,5-dimethyl oxazole
FL
heptyl cinnamate
FL/FR
(E)-4-
hexenal
FL
hexyl heptanoate
FL/FR
2-
methyl thiazole
FL
4-(
methyl thio) butanol
FL
2-
methyl-3-heptanone
FL
3-
methyl-3-pentanol
FL
1,5-
octadien-3-ol
FL
2-iso
propyl-3-(methyl thio) pyrazine
FL
iso
pulegyl formate
FL/FR
alliaceous
alliaceous
3-
tetrahydrothiophenone
FL
tropical thiazole
FL/FR
fatty
(Z)-3-
hexen-1-yl benzoate
FL/FR
2-
octen-1-ol
FL/FR
fruity
2-
hexen-1-ol
FL/FR
styralyl acetate
FL/FR
green
acetaldehyde butyl phenethyl acetal
FL/FR
acetaldehyde dipropyl acetal
FL/FR
acetaldehyde ethyl phenethyl acetal
FL/FR
dihydroxyacetophenone (mixed isomers)
FL
(Z)-4-
heptenal
FL/FR
(E)-2-
heptenal
FL
(Z)-2-
hexen-1-ol
FL/FR
(E)-2-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl lactate
FL/FR
(Z)-3-
hexen-1-yl methyl carbonate
FL/FR
3-
hexenal
FL/FR
(Z)-
leaf acetal
FL/FR
methyl heptine carbonate
FL/FR
3-(5-
methyl-2-furyl) butanal
FL
(E,Z)-2,6-
nonadien-1-yl acetate
FL/FR
2,4-
octadienal
FL
(Z)-5-
octen-1-yl propionate
FL/FR
1-
penten-3-ol
FL/FR
3-
phenyl propionaldehyde
FL/FR
2-
propyl pyrazine
FL
iso
propyl tiglate
FL/FR
propylene glycol acetone ketal
FL
rose leaf absolute (rosa centifolia)
FL/FR
violet leaf oil (viola odorata)
FL/FR
herbal
sweet
basil absolute
FL/FR
lovage tincture
FL/FR
leafy
methyl butyl phenyl acetate
FL/FR
metallic
4-
hexenol
FL/FR
3-(
methyl thio) hexanol
FL/FR
solvent
1-
heptanol
FL/FR
sulfurous
grapefruit menthane
FL/FR
methyl benzyl disulfide
FL
waxy
(Z)-6-
nonen-1-ol
FL/FR
 
Potential Uses:
FRgreen
FRherbal
FRhyacinth
FRhydrangea
FRnarcissus
FRsweet pea
FLvegetable
 
Occurrence (nature, food, other):note
 mango fruit
Search Trop Picture
 passion fruit
Search Trop Picture
 wine
Search Picture
 
Synonyms:
(2E)-2-butenoic acid (3Z)-3-hexenyl ester
2-butenoic acid, (3Z)-3-hexen-1-yl ester, (2E)-
2-butenoic acid, (3Z)-3-hexenyl ester, (2E)-
 crotonic acid cis-3-hexen-1-yl ester
(3Z)-hex-3-en-1-yl (2E)-but-2-enoate
[(Z)-hex-3-enyl] (E)-but-2-enoate
(Z)-3-hexen-1-yl (E)-2-butenoate
cis-3-hexen-1-yl crotonate
cis-3-hexen-1-yl trans-2-butenoate
cis-3-hexen-1-yl trans-crotonate
(Z)-3-hexenyl (E)-2-butenoate
(3Z)-hexenyl (E)-but-2-enoate
(Z)-3-hexenyl (E)-crotonate
(Z)-3-hexenyl crotonate
C3 hexenyl crotonate
cis-3-hexenyl crotonate
cis-3-hexenyl trans-2-butenoate
cis-3-hexenyl trans-crotonate
 hexenyl-cis-3-crotonate
 pipyl crotonate
 

Articles:

 None found yet.
 
Notes:
Used as a food additive [EAFUS]
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