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기본 정보
- CAS
19464-95-0- 표준 SMILES
CCOC(=O)C1OC1(C)c1ccccc1- InChIKey
LQKRYVGRPXFFAV-UHFFFAOYSA-N- 분자식
- C12H14O3
- 평균 분자량
- 206.241 g/mol
- 단동위원소 질량
- 206.09429431
이름 및 식별자
- 우선 이름
- Ethyl methylphenylglycidate
- IUPAC
- Ethyl 3-methyl-3-phenyloxirane-2-carboxylate
- 현지명
- 메틸페닐글리시드산에틸
- 영어명
- Ethyl 3-methyl-3-phenylglycidate
- 분자식
- C12H14O3
- 분자량
- 206.24
이름 및 동의어
메틸페닐글리시드산에틸ALDEHYDE C-16STRAWBERRY ALDEHYDEETHYL 2,3-EPOXY-3-PHENYLBUTYRATEFEMA 2444StrawberryETHYL METHYL PHENYL GLYCIDATEOxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester, trans-Fraeseolc-16aldehydebayberry aldehyde
데이터베이스 식별자
- CAS
19464-95-0、77-83-8- PubChem CID
- 6501
- DTXSID
DTXSID8020591- ChEMBL
CHEMBL1890407- ChEBI
CHEBI:173581- EC Number
- 201-061-8
- Nikkaji
- J15.727I
물성
물리화학적 성질
- 끓는 점
- 272 · 272-275 °C(lit.)
- 밀도
- 1.087 g/mL · 1.087 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.505(lit.)
- FEMA
- 2444 · 2444 | ETHYL METHYLPHENYLGLYCIDATE
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- 투명한 액체
- 색상
- Colorless to Light orange to Yellow
- 냄새
- 100 %에서 · 100.00%에서. 달콤한 과일 딸기 꽃 꿀 지방
- 냄새 유형
- 과일 같은
- 생물학적 소스
- synthetic
- JECFA Number
- 1577 · 1577
- BRN
- 12299 · 12299
- 주요 응용
- 향료 및 향
- 화장품 원료 기능
- 점도 조절향수
- InChI
- 1S/C12H14O3/c1-3-14-11(13)10-12(2,15-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3
- InChIKey
- LQKRYVGRPXFFAV-UHFFFAOYSA-N
- SMILES
- CCOC(=O)C1OC1(C)c2ccccc2
- LogP
- 2.43 · 2.43
- NIST
- 3 · Glycidic acid, 3-methyl-3-phenyl, ethyl ester(77-83-8)
- EPA
- Ethyl methylphenylglycidate (77-83-8)
화학적 성질
Ethyl 3-Methyl-3-phenylglycidate exists as two optically active pairs of cis- and trans-isomers; each isomer has a characteristic odor . The commercial product is a racemic mixture of all four isomers and has a strong, sweetish, strawberry odor. The cis/trans ratio obtained in the Darzens condensation of acetophenone (R==CH3) and ethyl chloroacetate depends on the base used in the reaction.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- MW5250000
- ridadr
- UN 1993 3/PG 3
- 독성
- LD50 orally in Rabbit: 5470 mg/kg
- HS 번호
- 29189090
- risk_code
- 10-36/37/38
- hazard_code
- Xi
- safety_code
- 16-26-36/37/39
- 위험 등급
- 3
- 기존화학 물질
- KE-13687
- Hazard Classifications
- Aquatic Chronic 2Skin Sens. 1B
- 스토리지 클래스
- 10 - Combustible liquids
- 유해 물질 데이터
- 77-83-8(Hazardous Substances Data)
화학 및 산업
응용 분야
출처Has apparently not been reported to occur in nature.
용도Ethyl 3-methyl-3-phenylglycidate is a synthetic flavoring agent that is a glycidic acid ester. It is a colorless to pale yellow liquid with a strong fruit odor suggestive of strawberries. It is unstable to alkali and moderately stable to weak organic acids. It should be stored in glass, tin, or aluminum containers. It is soluble in fixed oils and in propylene glycol. It is used in flavors for strawberry note and has application in candy, beverages, and ice cream at 6–20 ppm. It is also termed aldehyde c-16.
일반 설명Clear, colorless to yellowish liquid with a strawberry-like odor.
제조 방법
By reaction of acetophenone and the ethyl ester of monochloroacetic acid in the presence of an alkaline condensing agent.
상·하류 제품 정보
상류 원료
공급사100 곳
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