기본 정보
- CAS
55514-48-2- 표준 SMILES
CC=C(C)C(=O)OCC- InChIKey
OAPHLAAOJMTMLY-UHFFFAOYSA-N- 분자식
- C7H12O2
- 평균 분자량
- 128.17 g/mol
- 단동위원소 질량
- 128.08372962
이름 및 식별자
- 우선 이름
- Ethyl 2-methylbut-2-enoate
- IUPAC
- ethyl 2-methylbut-2-enoate
- 현지명
- 에틸2-메틸-2-부테노에이트
- 영어명
- ethyl 2-methyl-2-butenoate
- 분자식
- C7H12O2
- 분자량
- 128.17
이름 및 동의어
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
이름 더 보기
에틸2-메틸-2-부테노에이트2-Methyl-2-butenoic acid ethyl ester2-[benzyl-[2-(dibenzylamino)ethyl]amino]ethanol
(E)-ethyl tiglateethyl-2-methyl-2-butenoateSCHEMBL43053SCHEMBL111294SCHEMBL7519073ethyl alpha,beta-dimethylacrylateSCHEMBL20769756DB-264932
데이터베이스 식별자
- CAS
55514-48-2、5837-78-5- PubChem CID
- 108343
- DTXSID
DTXSID3047689- EC Number
- 227-425-6、259-688-8
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 125
실험 및 물리화학적 성질
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
물리화학적 성질
- 끓는 점
- 141 °C · 141 °C(Press: 735 Torr)
- 밀도
- 0.92 g/cm3 · 0.9200 g/cm3
- 화장품 원료 기능
- 향수
- LogP
- 2.225 · 2.225 (est)
- EPA
- 2 · 2-Butenoic acid, 2-methyl-, ethyl ester (55514-48-2)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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]
유해성 정보
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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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%)
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-23602
화학 및 산업
용도 및 제조
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
공급사4 곳
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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