Basic information
- CAS
55514-48-2- Standard SMILES
CC=C(C)C(=O)OCC- InChIKey
OAPHLAAOJMTMLY-UHFFFAOYSA-N- Molecular formula
- C7H12O2
- Average molar mass
- 128.17 g/mol
- Monoisotopic mass
- 128.08372962
Names & identifiers
- Preferred name
- Ethyl 2-methylbut-2-enoate
- IUPAC
- ethyl 2-methylbut-2-enoate
- English name
- ethyl 2-methyl-2-butenoate
- Molecular formula
- C7H12O2
- Molecular weight
- 128.17
Names & synonyms
Ethyl 2-methylbut-2-enoateEthyl 2-methyl-2-butenoateEINECS 259-688-8DTXSID30476892-Butenoic acid, 2-methyl-, ethyl esterRefChem:138622DTXCID1027689259-688-85837-78-5OAPHLAAOJMTMLY-GQCTYLIASA-NOAPHLAAOJMTMLY-UHFFFAOYSA-N55514-48-2
Show more names
2-Methyl-2-butenoic acid ethyl ester2-[benzyl-[2-(dibenzylamino)ethyl]amino]ethanol
(E)-ethyl tiglateethyl-2-methyl-2-butenoateSCHEMBL43053SCHEMBL111294SCHEMBL7519073ethyl alpha,beta-dimethylacrylateSCHEMBL20769756DB-264932
Database identifiers
- CAS
55514-48-2、5837-78-5- PubChem CID
- 108343
- DTXSID
DTXSID3047689- EC Number
- 227-425-6、259-688-8
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 125
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Ethyl tiglate) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.907-0.916
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in oils
Soluble (in ethanol)
Boiling Point154-156 °C
Refractive Index1.432-1.438
Physical DescriptionColourless liquid; Warm-ethereal fruity aroma
Physicochemical properties
- Boiling point
- 141 °C · 141 °C(Press: 735 Torr)
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1696 reports by companies from 1 notifications to the ECHA C&L Inventory.
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Hazard information
Regulatory Information
Chemical: 2-Butenoic acid, 2-methyl-, ethyl ester, (E)-
Chemical: 2-Butenoic acid, 2-methyl-, ethyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 18-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20884
Status: Active Update: 18-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20886
2-Butenoic acid, 2-methyl-, ethyl ester, (2E)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety Information
IMAP assessments - 2-Butenoic acid, 2-methyl-, ethyl ester: Environment tier I assessment
IMAP assessments - 2-Butenoic acid, 2-methyl-, ethyl ester, (E)-: Environment tier I assessment
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flam. Liq. 3 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- Hazard statements
- H226
- REACH Registrations
Chemistry & industry
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information
2-Butenoic acid, 2-methyl-, ethyl ester, (2E)-: ACTIVE
2-Butenoic acid, 2-methyl-, ethyl ester: INACTIVE
Suppliers4 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
2 records
Compound notes
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