기본 정보
- CAS
68922-11-2- 표준 SMILES
CCCC(=O)OC(C)Cc1ccccc1- InChIKey
ANJRGSHRMWLHFZ-UHFFFAOYSA-N- 분자식
- C13H18O2
- 평균 분자량
- 206.28 g/mol
- 단동위원소 질량
- 206.13067981
개요
Alpha-Methylphenethyl butyrate is an alkylbenzene.
이름 및 식별자
- 우선 이름
- 1-Phenyl-2-propyl butyrate
- IUPAC
- 1-phenylpropan-2-yl butanoate
- 현지명
- 1-메틸-2-페닐에틸부티레이트
- 영어명
- 1-methyl-2-phenylethyl butyrate
- 분자식
- C13H18O2
- 분자량
- 206.28
이름 및 동의어
1-Phenyl-2-propyl butyratealpha-Methylphenethyl butyrate1-PHENYLPROPAN-2-YL BUTANOATE68922-11-2FEMA No. 3197Butanoic acid, 1-methyl-2-phenylethyl ester1-Methyl-2-phenylethyl butanoateUNII-IG60Q569XBEINECS 272-983-6IG60Q569XBDTXSID208677581-PHENYL-2-PROPYL BUTANOATE
이름 더 보기
1-메틸-2-페닐에틸부티레이트1-PHENYL-2-PROPYLBUTYRATEALPHA-METHYLPHENETHYLBUTYRATE
.ALPHA.-METHYLPHENETHYL BUTYRATE.ALPHA.-METHYLPHENETHYL BUTYRATE [FHFI]RefChem:76951DTXCID00815919272-983-61-Methyl-2-phenylethyl butyratea-Methylphenethyl butyrateSCHEMBL4223740
데이터베이스 식별자
- CAS
68922-11-2- PubChem CID
- 19857768
- DTXSID
DTXSID20867758- ChEBI
CHEBI:191459- UNII
- IG60Q569XB
- EC Number
- 272-983-6
- Nikkaji
- J332.734E
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 183
실험 및 물리화학적 성질
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.975-0.985
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in oils, organic solvents
miscible at room temperature (in ethanol)
Boiling Point
138.00 to 140.00 °C. @ 10.00 mm Hg
138-140 °C (10 mm Hg)
Refractive Index1.480-1.487
Physical Descriptioncolourless oily liquid
물리화학적 성질
- 끓는 점
- 146 °C · 146 °C(Press: 10 Torr)
- 밀도
- 1.0001 g/cm3 · 1.0001 g/cm3
- FEMA
- 3197 · 3197 | ALPHA-METHYLPHENETHYL BUTYRATE
- JECFA Number
- 814 · 814
- LogP
- 3.71 · 3.71
- EPA
- 1 · Butanoic acid, 1-methyl-2-phenylethyl ester (68922-11-2)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory Information
Chemical: Butanoic acid, 1-methyl-2-phenylethyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Butanoic acid, 1-methyl-2-phenylethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
안전 데이터
- tsca
- TSCA listed
화학 및 산업
약리 정보
Cellular LocationsExtracellular
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationButanoic acid, 1-methyl-2-phenylethyl ester: INACTIVE
공급사1 곳
上海问彩新材料科技有限公司15721586846 · [email protected]
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