(Z)-3-hexen-1-yl (E)-crotonate
(Z)-3-hexenyl (E)-2-butenoate
 
Notes:
Used as a food additive [EAFUS]
  • Alfrebro
    • Alfrebro LLC/ Archer Daniels Midland Company
      Let's get reacquainted
      Building great taste with aroma chemicals, extracts, and distillates
      The Alfrebro brand was established in the early 1900s by Alex Fries & Brothers, a Cincinnati Flavor Company. In 1980, the brand was re-launched as an aroma chemical manufacturer. Since its inception, Alfrebro’s primary focus has been to provide quality natural and high value synthetic chemicals.
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      Product(s):
      cis-3-HEXENYL CROTONATE NATURAL
       
  • BOC Sciences
    • BOC Sciences
      Best of Chemicals Supplier
      Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds.
      BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services.
      BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies.
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      Product(s):
      65405-80-3 cis-3-Hexenyl crotonate
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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      US Voice: (973) 740-2300
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      Product(s):
      08-32750 CIS-3-HEXENYL CROTONATE
      08-32755 CIS-3-HEXENYL CROTONATE NATURAL
       
  • Sigma-Aldrich
  • SRS Aromatics
    • SRS Aromatics Ltd
      For over 25 years
      Bringing flavour and fragrance into your world.
      As suppliers / distributors of ingredients to the fragrance and flavour industries, our goal is to provide high quality materials at competitive prices with an exceptional level of service. Established in 1984, SRS Aromatics Ltd is an independent family owned business which has become very well-respected within the fragrance and flavour industry as a reliable and trustworthy partner. Over the years this has allowed the company to develop strong relationships with many global manufacturers; several of whom we represent in the UK. A core aim of our business is to work extremely closely with both our suppliers and customers to maximise service levels with minimum disruption to supply.
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      Product(s):
      HEXENYL CIS 3 CROTONATE
       
  • TCI AMERICA
    • TCI AMERICA
      Moving Your Chemistry Forward
      We continuously strive to advance our technology.
      With East & West Coast distribution centers, count on TCI to deliver products quickly and reliably. Over 30,000 Reagents available today in benchtop to bulk quantities. We also offer custom synthesis solutions. Sign up for a TCI account today for fast and free shipping!
      Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 70 years of synthesis experience and multi-purpose plants enable TCI to offer more than 30,000 products as well as custom synthesis.
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      Product(s):
      C0919 cis-3-Hexen-1-yl Crotonate >95.0%(GC)
       
Synonyms   Articles   Notes   Search
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
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 1276  (Z)-3-hexenyl (E)-2-butenoate
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 (SATF):65405-80-3 ; 3-HEXENYL CROTONATE, CIS-
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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 mmHg @ 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
Synonyms   Articles   Notes   Search   Top
Organoleptic Properties:
 
Odor Type: green
 
 green  vegetable  
Odor Description:
at 100.00 %. 
green vegetable
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Alfrebro
cis-3-HEXENYL CROTONATE NATURAL
Odor: Leafy, Green, Vegetable
BOC Sciences
For experimental / research use only.
cis-3-Hexenyl crotonate
Grau Aromatics
HEXENYL-cis-3-CROTONATE
NI, Kosher
Kingchem Laboratories
C3 HEXENYL CROTONATE
Odor: Green, fruity, plum-like top note
Parchem
(Z)-3-hexen-1-yl (E)-crotonate
Penta International
CIS-3-HEXENYL CROTONATE NATURAL
Penta International
CIS-3-HEXENYL CROTONATE
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)
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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
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Safety in Use Information:
Category: flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
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
Click here to view publication 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
Chewing gum (05.0): --
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
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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
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
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
Synonyms   Articles   Notes   Search   Top
References:
 [(Z)-hex-3-enyl] (E)-but-2-enoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 16220110
Pubchem (sid): 135061834
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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
FDA Substances Added to Food (formerly 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
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Potential Blenders and core components note
 
For Odor
camphoreous
camphoreous
 hinoki leaf oilFR
citrus
 neroli ketoneFR
dairy
 methyl butyl phenyl acetateFL/FR
fatty
(Z)-2-octenal 
floral
 allyl anthranilateFL/FR
 geranium pyranFR
 geranium specialtyFR
 hyacinth fragranceFR
 hyacinth specialtyFR
fruity
alpha-heptyl cinnamaldehyde 
2-hexen-1-olFL/FR
(E)-2-hexen-1-olFL/FR
 tropical thiazoleFL/FR
green
 acetaldehyde butyl phenethyl acetalFL/FR
 acetaldehyde di-(Z)-3-hexen-1-yl acetalFL/FR
 acetaldehyde dipropyl acetalFL/FR
 acetaldehyde ethyl phenethyl acetalFL/FR
 artichoke leaf 
 birch leaf specialtyFR
 bromstyrolCS
3,5,6-neocyclocitralFR
1-heptanolFL/FR
(Z)-4-heptenalFL/FR
 heptyl cinnamateFL/FR
(Z)-2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl lactateFL/FR
(Z)-3-hexen-1-yl methyl carbonateFL/FR
(Z)-3-hexen-1-yl octanoateFL/FR
3-hexenalFL/FR
4-hexenolFL/FR
 hexoxyacetaldehyde dimethyl acetalFR
 hexyl heptanoateFL/FR
 lawsonia inermis leaf oil CO2 extractFR
(Z)-leaf acetalFL/FR
 methyl heptine carbonateFL/FR
(E,Z)-2,6-nonadien-1-yl acetateFL/FR
2-octen-1-olFL/FR
(Z)-5-octen-1-yl propionateFL/FR
1-penten-3-olFL/FR
3-phenyl propionaldehydeFL/FR
isopropyl phenyl propionaldehydeFR
 rosa damascena leaf absoluteFR
 rosacyanthinFR
 rose leaf absolute (rosa centifolia)FL/FR
 styralyl acetateFL/FR
 violet leaf oil (viola odorata)FL/FR
herbal
sweet basil absoluteFL/FR
 herbal heptaneFR
 lovage tinctureFL/FR
leafy
 autumn fragranceFR
melon
(Z)-6-nonen-1-olFL/FR
minty
isopropyl tiglateFL/FR
isopulegyl formateFL/FR
sulfurous
 grapefruit menthaneFL/FR
3-(methyl thio) hexanolFL/FR
 
For Flavor
 
No flavor group found for these
 acetaldehyde di-(Z)-3-hexen-1-yl acetalFL/FR
 allyl anthranilateFL/FR
2,3-dimethyl-5-isobutyl pyrazineFL
2-ethyl-4,5-dimethyl oxazoleFL
alpha-heptyl cinnamaldehyde 
 heptyl cinnamateFL/FR
(E)-4-hexenalFL
 hexyl heptanoateFL/FR
2-methyl thiazoleFL
4-(methyl thio) butanolFL
2-methyl-3-heptanoneFL
3-methyl-3-pentanolFL
1,5-octadien-3-olFL
(Z)-2-octenal 
2-isopropyl-3-(methyl thio) pyrazineFL
isopulegyl formateFL/FR
alliaceous
3-tetrahydrothiophenoneFL
 tropical thiazoleFL/FR
dairy
 methyl butyl phenyl acetateFL/FR
fatty
(Z)-3-hexen-1-yl benzoateFL/FR
2-octen-1-olFL/FR
fruity
2-hexen-1-olFL/FR
 styralyl acetateFL/FR
green
 acetaldehyde butyl phenethyl acetalFL/FR
 acetaldehyde dipropyl acetalFL/FR
 acetaldehyde ethyl phenethyl acetalFL/FR
 artichoke leaf 
 dihydroxyacetophenone (mixed isomers)FL
(Z)-4-heptenalFL/FR
(E)-2-heptenalFL
(E)-2-hexen-1-olFL/FR
(Z)-2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl lactateFL/FR
(Z)-3-hexen-1-yl methyl carbonateFL/FR
(Z)-3-hexen-1-yl octanoateFL/FR
3-hexenalFL/FR
(Z)-leaf acetalFL/FR
 methyl heptine carbonateFL/FR
3-(5-methyl-2-furyl) butanalFL
(E,Z)-2,6-nonadien-1-yl acetateFL/FR
2,4-octadienalFL
(Z)-5-octen-1-yl propionateFL/FR
1-penten-3-olFL/FR
3-phenyl propionaldehydeFL/FR
2-propyl pyrazineFL
isopropyl tiglateFL/FR
 propylene glycol acetone ketalFL
 rose leaf absolute (rosa centifolia)FL/FR
 violet leaf oil (viola odorata)FL/FR
herbal
sweet basil absoluteFL/FR
 lovage tinctureFL/FR
metallic
4-hexenolFL/FR
3-(methyl thio) hexanolFL/FR
solvent
1-heptanolFL/FR
sulfurous
 grapefruit menthaneFL/FR
 methyl benzyl disulfideFL
waxy
(Z)-6-nonen-1-olFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 greenFR
 herbalFR
 hyacinthFR
 hydrangeaFR
 narcissusFR
 sweet peaFR
 vegetableFL
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 mango fruit
Search Trop  Picture
 passion fruit
Search Trop  Picture
 wine
Search  Picture
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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
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Synonyms   Articles   Notes   Search   Top
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