Grundinformationen
- CAS
55514-48-2- Standard-SMILES
CC=C(C)C(=O)OCC- InChIKey
OAPHLAAOJMTMLY-UHFFFAOYSA-N- Summenformel
- C7H12O2
- Durchschnittliche Molmasse
- 128,17 g/mol
- Monoisotopische Masse
- 128,08372962
Namen und Bezeichner
- Bevorzugter Name
- Ethyl 2-methylbut-2-enoate
- IUPAC
- ethyl 2-methylbut-2-enoate
- Lokaler Name
- Ethyl-2-methyl-2-butenoat
- Englischer Name
- ethyl 2-methyl-2-butenoate
- Summenformel
- C7H12O2
- Molmasse
- 128.17
Namen und Synonyme
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
Weitere Namen anzeigen
2-Methyl-2-butenoic acid ethyl ester2-[benzyl-[2-(dibenzylamino)ethyl]amino]ethanol
(E)-ethyl tiglateethyl-2-methyl-2-butenoateSCHEMBL43053SCHEMBL111294SCHEMBL7519073ethyl alpha,beta-dimethylacrylateSCHEMBL20769756DB-264932
Datenbank-Bezeichner
- CAS
55514-48-2、5837-78-5- PubChem CID
- 108343
- DTXSID
DTXSID3047689- EC Number
- 227-425-6、259-688-8
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 125
Experimentelle und physikochemische Eigenschaften
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
Physikochemische Eigenschaften
- Siedepunkt
- 141 °C · 141 °C(Press: 735 Torr)
Sicherheit und Regulatorisches
GHS-Klassifizierung
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]
Gefahrenhinweise
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%)
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
Verwendung und Herstellung
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
Anbieter4 Anbieter
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]
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2
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