CAS Number: | 3724-65-0 | 3D/inchi
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Other(deleted CASRN): | 15105-17-6 |
ECHA EINECS - REACH Pre-Reg: | 223-077-4 |
FDA UNII: | Search |
Beilstein Number: | 1098434 |
CoE Number: | 10080 |
XlogP3: | 0.70 (est) |
Molecular Weight: | 86.09022000 |
Formula: | C4 H6 O2 |
BioActivity Summary: | listing |
NMR Predictor: | Predict (works with chrome, Edge or firefox) |
EFSA/JECFA Comments: | Composition of mixture to be specified.
Composition of stereoisomeric mixture to be specifed. EU Union List chemical name to be changed to (E,Z)-But-2-enoic acid |
Category: flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
Appearance: | white solid (est) |
Assay: | 99.00 to 100.00 % sum of isomers
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Food Chemicals Codex Listed: | No |
Melting Point: | 70.00 to 73.00 °C. @ 760.00 mm Hg
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Boiling Point: | 185.00 °C. @ 760.00 mm Hg
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Boiling Point: | 66.00 to 67.00 °C. @ 10.00 mm Hg
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Vapor Pressure: | 0.505000 mmHg @ 25.00 °C. (est) |
Vapor Density: | 2.9 ( Air = 1 ) |
Flash Point: | 186.00 °F. TCC ( 85.56 °C. )
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logP (o/w): | 0.720 |
Soluble in: |
| alcohol | | water, 8.60E+04 mg/L @ 25 °C (exp) |
Insoluble in: |
| water |
Organoleptic Properties:
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Odor Type: milky |
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| roasted burnt |
Odor Description: at 0.10 % in propylene glycol. | roasted burnt |
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Odor and/or flavor descriptions from others (if found). |
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Cosmetic Information:
Suppliers:
Safety Information:
European information : |
Most important hazard(s): | Xn - Harmful. |
R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R 34 - Causes burns. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 27 - Take off immediately all contaminated clothing. S 28 - After contact with skin, wash immediately with plenty of water. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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Hazards identification |
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Classification of the substance or mixture |
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
None found. |
GHS Label elements, including precautionary statements |
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Pictogram | |
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Hazard statement(s) |
None found. |
Precautionary statement(s) |
None found. |
Oral/Parenteral Toxicity: |
oral-rat LD50 1000 mg/kg Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 269, 1944.
oral-mouse LD50 4800 mg/kg Biochemical Journal. Vol. 34, Pg. 1196, 1940.
intraperitoneal-mouse LD50 25 mg/kg "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4953, 1982.
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Dermal Toxicity: |
skin-rabbit LD50 600 mg/kg "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 309, 1986.
subcutaneous-mouse LD50 3590 mg/kg Journal of Pharmacy and Pharmacology. Vol. 21, Pg. 85, 1969.
skin-guinea pig LD50 200 mg/kg "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4953, 1982.
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Inhalation Toxicity: |
Not determined
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Safety in Use Information:
Category: | flavoring agents |
Recommendation for 2-butenoic acid usage levels up to: | | not for fragrance use.
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Maximised Survey-derived Daily Intakes (MSDI-EU): | 4.00 (μg/capita/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: 19 |
Click here to view publication 19 |
| average usual ppm | average maximum ppm |
baked goods: | 5.00000 | 7.00000 |
beverages(nonalcoholic): | 2.00000 | 5.00000 |
beverages(alcoholic): | - | - |
breakfast cereal: | - | - |
cheese: | - | - |
chewing gum: | - | - |
condiments / relishes: | - | - |
confectionery froastings: | - | - |
egg products: | - | - |
fats / oils: | 0.20000 | 0.50000 |
fish products: | - | - |
frozen dairy: | 5.00000 | 7.00000 |
fruit ices: | - | - |
gelatins / puddings: | 5.00000 | 7.00000 |
granulated sugar: | - | - |
gravies: | - | - |
hard candy: | - | - |
imitation dairy: | - | - |
instant coffee / tea: | - | - |
jams / jellies: | - | - |
meat products: | - | - |
milk products: | - | - |
nut products: | - | - |
other grains: | - | - |
poultry: | - | - |
processed fruits: | - | - |
processed vegetables: | - | - |
reconstituted vegetables: | - | - |
seasonings / flavors: | - | - |
snack foods: | - | - |
soft candy: | 5.00000 | 7.00000 |
soups: | - | - |
sugar substitutes: | - | - |
sweet sauces: | - | - |
Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s): |
The FEMA GRAS assessment of alpha,beta-unsaturated aldehydes and related substances used as flavor ingredients. View pdf |
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 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 14, Revision 1 (FGE.14Rev1): Phenethyl alcohol, aldehyde, acetals, carboxylic acid and related esters from chemical group 15 and 22 [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
Flavouring Group Evaluation 20, Revision 1 (FGE.20Rev1): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters from chemical group 23 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 |
Scientific Opinion on Flavouring Group Evaluation 13Rev1: Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14 View page or View pdf |
Scientific Opinion on Flavouring Group Evaluation 20, Revision 2 (FGE.20Rev2): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 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 20, Revision 3(FGE.20Rev3): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf |
Scientific Opinion on Flavouring Group Evaluation 5, Revision 3 (FGE.05Rev3): Branched- and straight-chain unsaturated aldehydes, dienals, unsaturated and saturated carboxylic acids and related esters with saturated and unsaturated aliphatic alcohols and a phenylacetic acid related ester from chemical groups 1, 2, 3, 5 and 15 View page or View pdf |
EPI System: | View |
NIOSH International Chemical Safety Cards: | search |
AIDS Citations: | Search |
Cancer Citations: | Search |
Toxicology Citations: | Search |
EPA Substance Registry Services (TSCA): | 3724-65-0 |
EPA ACToR: | Toxicology Data |
EPA Substance Registry Services (SRS): | Registry |
Laboratory Chemical Safety Summary : | 19499 |
National Institute of Allergy and Infectious Diseases: | Data |
WISER: | UN 2823 |
WGK Germany: | 1 |
| but-2-enoic acid |
Chemidplus: | 0003724650 |
EPA/NOAA CAMEO: | hazardous materials |
RTECS: | 3724-65-0 |
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| but-2-enoic acid | 2- | butenic acid | 2- | butenoic acid | a- | butenoic acid | alpha- | butenoic acid | 2- | butenoic acid (crotonic acid) | | crotonic acid | a- | crotonic acid | alpha- | crotonic acid | b- | methacrylic acid | beta- | methacrylic acid | 3- | methyl acrylic acid | beta- | methyl acrylic acid | 3- | methylacrylic acid | b- | methylacrylic acid | beta- | methylacrylic acid |
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