기본 정보
- CAS
10415-88-0- 표준 SMILES
CC(=O)OC(C)CCc1ccccc1- InChIKey
IVEWTAOGAGBQGG-UHFFFAOYSA-N- 분자식
- C12H16O2
- 평균 분자량
- 192.25 g/mol
- 단동위원소 질량
- 192.11502975
개요
4-Phenyl-2-butyl acetate is a member of benzenes.
이름 및 식별자
- 우선 이름
- 1-Phenyl-3-acetoxybutane
- IUPAC
- 4-phenylbutan-2-yl acetate
- 현지명
- 4-페닐-2-부틸아세테이트
- 영어명
- 4-Phenyl-2-butyl acetate
- 분자식
- C12H16O2
- 분자량
- 192.25
이름 및 동의어
4-Phenyl-2-butyl acetate4-phenylbutan-2-yl acetate10415-88-01-Phenyl-3-acetoxybutane2-Butanol, 4-phenyl-, acetate4-Phenyl-2-butanol acetatealpha-Methylbenzenepropanol acetateBenzenepropanol, .alpha.-methyl-, acetateFEMA No. 28821-Methyl-3-phenylpropyl acetatePhenylethyl methyl carbinyl acetateBenzenepropanol, alpha-methyl-, acetate
이름 더 보기
4-페닐-2-부틸아세테이트4-phenylbut-2-yl acetateCH3C(O)OCH(CH3)CH2CH2C6H54-PHENYL-2-BUTYL ACETATE 98+%alpha-methyl-benzenepropanoacetateα-Methylbenzene-1-propanol acetatePhenylpropanol, alpha-methyl, acetate
7BV1134YBVBenzenepropanol, alpha-methyl-, 1-acetateEINECS 233-890-6Benzenepropanol, .alpha.-methyl-, 1-acetateDTXSID208642674-PHENYL-2-BUTYL ACETATE [FHFI]RefChem:435627DTXCID90215080
데이터베이스 식별자
- CAS
10415-88-0、59960-25-7- PubChem CID
- 61517
- DTXSID
DTXSID20864267- ChEBI
CHEBI:179908- UNII
- 7BV1134YBV
- EC Number
- 233-890-6
- Nikkaji
- J236.816A
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 171
실험 및 물리화학적 성질
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.975-0.980
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point72-74 °C (0.5 mm Hg)
Refractive Index1.498-1.505
Physical Descriptioncolourless oily liquid with a mild, green, fruity odour
물리화학적 성질
- 끓는 점
- 72 · 72-74 °C
- 밀도
- 0.99 · 0.99
- 굴절률
- 1.51 · 1.5100 (estimate)
- FEMA
- 2882 · 2882 | 4-PHENYL-2-BUTYL ACETATE
- 냄새
- 100 %에서 · 100.00%에서. 녹색 과일
- 냄새 유형
- 과일 같은
- JECFA Number
- 816 · 816
- LogP
- 3.22 · 3.22
- NIST
- Benzenepropanol, «alpha»-methyl-, acetate(10415-88-0)
- EPA
- Benzenepropanol, .alpha.-methyl-, acetate (10415-88-0)
화학적 성질
4-Phenyl-2-butyl acetate has a mild, green, fruity odor and a sweet, fruity taste.
안전 및 규제
유해성 정보
Regulatory Information
Chemical: Benzenepropanol, .alpha.-methyl-, acetate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzenepropanol, .alpha.-methyl-, acetate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
안전 데이터
- tsca
- TSCA listed
- safety_code
- 24/25
화학 및 산업
약리 정보
Cellular LocationsMembrane
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 InformationBenzenepropanol, .alpha.-methyl-, 1-acetate: INACTIVE
제조 방법
By acetylation of the corresponding alcohol; the racemic and the dextrorotatory forms are known.
공급사4 곳
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
吉良化学21-62165282 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
重庆卡兰医药有限公司[email protected]
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