기본 정보
- CAS
10031-71-7- 표준 SMILES
CC(C)C(=O)OC(C)(C)CCc1ccccc1- InChIKey
WCEXWNUHYPYHDN-UHFFFAOYSA-N- 분자식
- C15H22O2
- 평균 분자량
- 234.33 g/mol
- 단동위원소 질량
- 234.16197994
개요
2-Methyl-4-phenyl-2-butyl 2-methylpropanoate is a member of benzenes.
이름 및 식별자
- 우선 이름
- 1,1-Dimethyl-3-phenylpropyl isobutyrate
- IUPAC
- (2-methyl-4-phenylbutan-2-yl) 2-methylpropanoate
- 현지명
- 베타페닐에틸디메틸카르비닐이소부티레이트
- 영어명
- beta phenyl ethyl dimethyl carbinyl isobutyrate
- 분자식
- C15H22O2
- 분자량
- 234.33
이름 및 동의어
10031-71-71,1-Dimethyl-3-phenylpropyl isobutyrateDmpec isobutyratepapaya isobutyrateDmpec 2-methylpropanoateDimethyl phenethyl carbinyl isobutyratePropanoic acid, 2-methyl-, 1,1-dimethyl-3-phenylpropyl esterFEMA No. 2736Dimethylphenyl ethylcarbinyl isobutyrate1,1-Dimethyl-3-phenylpropyl 2-methylpropanoateDimethyl(phenylethyl)carbinyl isobutyrate2-Methyl-4-phenyl-2-butyl isobutyrate
이름 더 보기
베타페닐에틸디메틸카르비닐이소부티레이트FEMA 27361,1-dimethyl-3-phenylpropyl1,1-dimethyl-3-phenylpropylr2-METHYL-4-PHENYL-2-BUTYLISOBUTYRATE1,1-dimethyl-3-phenylpropylisobutyrateDIMETHYL PHENYL ETHYL CARBINYL ISOBUTYRATEPhenyl ethyl dimethyl carbinyl isobutyratebeta phenyl ethyl dimethyl carbinyl isobutyrate(2-Methyl-4-phenylbutan-2-yl) 2-methylpropanoate
G0GW9X884IPhenylethyl dimethyl carbinyl isobutyrateIsobutyric acid, 1,1-dimethyl-3-phenylpropyl esterEINECS 233-092-8DTXSID0064915RefChem:409973DTXCID10325152-METHYL-4-PHENYL-2-BUTYL ISOBUTYRATE [FHFI]
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 237
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (2-Methyl-4-phenyl-2-butyl isobutyrate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.949-0.959
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in oils; Insoluble in water
Soluble (in ethanol)
Boiling Point
250.00 °C. @ 760.00 mm Hg
250 °C
Refractive Index1.475-1.485
Physical DescriptionColourless liquid; Peculiar fruity-juicy, tea-like and herbaceous, richly sweet aroma
물리화학적 성질
- 끓는 점
- 314.5 · 314.5±21.0 °C(Predicted)
- 밀도
- 0.969 · 0.969±0.06 g/cm3(Predicted)
- FEMA
- 2736 · 2736 | 2-METHYL-4-PHENYL-2-BUTYL ISOBUTYRATE
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (90 of 90) of all reports.
Not Classified
Aggregated GHS information provided per 90 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Propanoic acid, 2-methyl-, 1,1-dimethyl-3-phenylpropyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Propanoic acid, 2-methyl-, 1,1-dimethyl-3-phenylpropyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Propanoic acid, 2-methyl-, 1,1-dimethyl-3-phenylpropyl ester: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- WGK 3
- tsca
- TSCA listed
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationPropanoic acid, 2-methyl-, 1,1-dimethyl-3-phenylpropyl ester: ACTIVE
응용 분야
개요2-Methyl-4-phenyl-2-butyl isobutyrate has a herbaceous, teα-like, sweet odor with a fruit-juice flavor. May be prepared by esterification of dimethyl phenylethyl carbinol with isobutyric acid or anhydride.
제조 방법
By esterification of dimethyl phenylethyl carbinol with isobutyric acid or anhydride.
공급사10 곳
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
吉良化学21-62165282 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司
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