에틸2,3-에폭시-3-p-톨릴부티레이트
Ethyl 3-methyl-3-(p-tolyl)glycidate
기본 정보
- CAS
74367-97-8- 표준 SMILES
CCOC(=O)C1OC1(C)c1ccc(C)cc1- InChIKey
RJQNJKOCFCXTHZ-UHFFFAOYSA-N- 분자식
- C13H16O3
- 평균 분자량
- 220.26 g/mol
- 단동위원소 질량
- 220.10994437
개요
Ethyl methyl-p-tolylglycidate is a member of toluenes.
이름 및 식별자
- 우선 이름
- Ethyl 3-methyl-3-(p-tolyl)glycidate
- IUPAC
- ethyl 3-methyl-3-(4-methylphenyl)oxirane-2-carboxylate
- 현지명
- 에틸2,3-에폭시-3-p-톨릴부티레이트
- 영어명
- ethyl 2,3-epoxy-3-p-tolylbutyrate
- 분자식
- C13H16O3
- 분자량
- 220.26
이름 및 동의어
Ethyl methyl-p-tolylglycidate74367-97-8Ethyl 2,3-epoxy-3-p-tolylbutyrateEthyl methyl-p-methylphenylglycidateEthyl 3-methyl-3-(p-tolyl)glycidateFEMA No. 3757EINECS 277-844-3Ethyl 3-methyl-3-(4-methylphenyl)oxiranecarboxylateAI3-0712224HU805Y6YOxiranecarboxylic acid, 3-methyl-3-(4-methylphenyl)-, ethyl esterRefChem:595024
이름 더 보기
에틸2,3-에폭시-3-p-톨릴부티레이트ETHYLMETHYL-PARA-TOLYLGLYCIDATE3-Methyl-3-(4-tolyl)-glycidic acid ethyl ester3-Methyl-3-(4-methylphenyl)oxirane-2-carboxylic acid ethyl ester
ETHYL METHYL-P-TOLYLGLYCIDATE [FHFI]2-OXIRANECARBOXYLIC ACID, 3-METHYL-3-(4-METHYLPHENYL)-, ETHYL ESTER277-844-3ethyl 3-methyl-3-(4-methylphenyl)oxirane-2-carboxylateUNII-24HU805Y6YEthyl 3-methyl-3-(p-tolyl)oxirane-2-carboxylateSCHEMBL3507914FEMA 3757
데이터베이스 식별자
- CAS
74367-97-8- PubChem CID
- 5362581
- DTXSID
DTXSID00868304- ChEBI
CHEBI:179456- EC Number
- 277-844-3
- Nikkaji
- J318.963E
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 38.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 268
실험 및 물리화학적 성질
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.081-1.087 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; Soluble in ether, oils
Soluble (in ethanol)
Boiling Point
123.00 to 125.00 °C. @ 760.00 mm Hg
123-125 °C
Refractive Index1.523-1.529
Physical DescriptionColourless or pale straw Coloured viscous liquid; Mild deep fruity, slightly floral aroma
물리화학적 성질
- FEMA
- 3757 · 3757 | ETHYL METHYL-P-TOLYLGLYCIDATE
- 냄새
- 10 % · 디프로필렌 글리콜 중 10.00%. 꽃무늬 녹색 과일향 달콤한 베리 체리 가루
- 냄새 유형
- 과일 같은
- JECFA Number
- 1578 · 1578
- LogP
- 2.89 · 2.89
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Oxiranecarboxylic acid, 3-methyl-3-(4-methylphenyl)-, ethylester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Oxiranecarboxylic acid, 3-methyl-3-(4-methylphenyl)-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
제조 방법
생산 방법Ethyl 2,3-epoxy-3-p-tolylbutyrate can be produced from para-Methyl acetophenone and Ethyl monochloro acetate by condensation, using Sodamide as condensing agent in alkaline solution.
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…