EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

methyl (E)-2-butenoate
trans-methyl crotonate

Supplier Sponsors

Name:methyl (E)-but-2-enoate
CAS Number: 623-43-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:210-793-7
FDA UNII:3T02JIH93S
Nikkaji Web:J43.555D
Beilstein Number:1720292
MDL:MFCD00009287
XlogP3-AA:0.90 (est)
Molecular Weight:100.11716000
Formula:C5 H8 O2
NMR Predictor:Predict (works with chrome or firefox)
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
PubMed:Search
NCBI:Search
FLAVIS Number:09.636 (Old)
DG SANTE Food Flavourings:09.636 trans-methyl crotonate
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.97700 to 0.98300 @ 25.00 °C.
Pounds per Gallon - (est).: 8.130 to 8.180
Refractive Index:1.42400 to 1.42700 @ 20.00 °C.
Melting Point: -42.00 °C. @ 760.00 mm Hg
Boiling Point: 118.00 to 120.00 °C. @ 760.00 mm Hg
Vapor Pressure:14.869000 mm/Hg @ 25.00 °C. (est)
Vapor Density:3.46 ( Air = 1 )
Flash Point: 39.00 °F. TCC ( 3.89 °C. )
logP (o/w): 1.316 (est)
Soluble in:
 alcohol
 water, slightly
 water, 1.241e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: green
Odor Strength:high ,
recommend smelling in a 1.00 % solution or less
sharp green fruity
Odor Description:at 1.00 % in dipropylene glycol. sharp green fruity
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: not used anymore
 
Suppliers:
EMD Millipore
For experimental / research use only.
Methyl Crotonate
Grau Aromatics
METHYL-CROTONATE
NI, Kosher
Inoue Perfumery
METHYL CROTONATE
Jiangyin Healthway
Methyl Crotonate Natural98%
New functional food ingredients
Jiangyin Healthway
Methyl Crotonate
Kingchem Laboratories
METHYL CROTONATE
Odor: Powerful and diffusive, sharp and green-fruity
Penta International
METHYL CROTONATE
Santa Cruz Biotechnology
For experimental / research use only.
Methyl Crotonate
Sigma-Aldrich
For experimental / research use only.
Methyl crotonate analytical standard
TCI AMERICA
For experimental / research use only.
Methyl Crotonate >98.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 11 - Highly flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
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 36/37/39 - Wear suitable clothing, 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:
oral-rat LD50 > 3200 mg/kg
(MFRM, 1979)

oral-mouse LD50 1600 mg/kg
(MFRM, 1979)

oral-mouse LD50 1600 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 865, 1979.

oral-rat LD50 > 3200 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 865, 1979.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 865, 1979.

skin-guinea pig LD50 10 ml/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 865, 1979.

Inhalation Toxicity:
inhalation-rat LC > 19000 ppm/6H
Food and Cosmetics Toxicology. Vol. 17, Pg. 865, 1979.

 
Safety in Use Information:
Category: flavoring agents
IFRA Critical Effect: Sensitization
IFRA: View Standard
Recommendation for methyl (E)-2-butenoate usage levels up to:
 PROHIBITED: Should not be used as a fragrance ingredient.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.12 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
 
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): 10.0000050.00000
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):

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
View page or View pdf

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)
View page or View pdf

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

Scientific Opinion on Flavouring Group Evaluation 71: Consideration of aliphatic, linear, alpha,beta-unsaturated carboxylic acids and related esters
View page or View pdf

Flavouring Group Evaluation 72 (FGE.72): Consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids, and related esters evaluated by the JECFA (61st meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids. Esters of these and straight-chain aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010)
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

Scientific Opinion on Flavouring Group Evaluation 95 (FGE.95): Consideration of aliphatic, linear or branched-chain saturated and unsaturated alcohols, aldehydes, acids and related esters evaluated by JECFA (69th 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.05Rev1 (2008)
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):623-43-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :638132
National Institute of Allergy and Infectious Diseases:Data
SCCNFP:opinion
WISER:UN 3272
WGK Germany:2
methyl (E)-but-2-enoate
Chemidplus:0000623438
RTECS:GQ5710000 for cas# 623-43-8
 
References:
 methyl (E)-but-2-enoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:623-43-8
Pubchem (cid):638132
Pubchem (sid):134977110
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2916.19.5000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 lulo fruit
Search Trop Picture
 mangaba
Search Trop Picture
 pineapple fruit
Search Trop Picture
 soursop
Search Trop Picture
 
Synonyms:
trans-but-2-enoic acid methyl ester
(2E)-2-butenoic acid methyl ester
(E)-2-butenoic acid methyl ester
trans-2-butenoic acid methyl ester
2-butenoic acid, methyl ester, (2E)-
2-butenoic acid, methyl ester, (E)-
(E)-crotonic acid methyl ester
 crotonic acid, methyl ester, (E)-
 methyl (2E)-2-butenoate
 methyl (2E)-but-2-enoate
 methyl (E)-2-butenoate
 methyl (E)-but-2-enoate
trans-methyl crotonate
 methyl E-crotonate
 methyl trans-2-butenoate
 methyl trans-butenoate
 methyl trans-crotonate
 methyl-(2E)-but-2-enoat
trans-methylcrotonate
 
 
Notes:
None found
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