기본 정보
- CAS
103-07-1- 표준 SMILES
CC(=O)OC(C)(C)CCc1ccccc1- InChIKey
ZXFNOEJFYLQUSB-UHFFFAOYSA-N- 분자식
- C13H18O2
- 평균 분자량
- 206.28 g/mol
- 단동위원소 질량
- 206.13067982
개요
structure in first source
이름 및 식별자
- 우선 이름
- 2-Methyl-4-phenyl-2-butyl acetate
- IUPAC
- (2-methyl-4-phenylbutan-2-yl) acetate
- 현지명
- 디메틸페닐에틸카비닐아세테이트
- 영어명
- DIMETHYL PHENYL ETHYL CARBINYL ACETATE
- 분자식
- C13H18O2
- 분자량
- 206.28
이름 및 동의어
2-Methyl-4-phenyl-2-butyl acetateRefChem:475593103-07-11,1-Dimethyl-3-phenylpropyl acetateDmpec acetateDimethylphenylethylcarbinyl acetateDimethyl phenethyl carbinyl acetate2-Methyl-4-phenyl-2-acetoxybutaneFEMA No. 2735Dimethylphenethylcarbinyl acetate(2-methyl-4-phenylbutan-2-yl) acetatePhenylethyl dimethyl carbinyl acetate
이름 더 보기
디메틸페닐에틸카비닐아세테이트FEMA 2735narcissus acetatePHENYLETHYL3,3-DIMETHYLACRYLATE2-methyl-4-phenyl-2-butylacetate2-methyl-4-phenyl-2-butanoacetate1,1-Dimethyl-3-phenylpropylacetatDimethylphenethylcarbinol acetateDIMETHYLPHENYLETHYL-CARBINYLACETAT1,1-dimethyl-3-phenylpropylacetate2,2-Dimethyl-3-phenylpropyl acetate
2-methyl-4-phenylbutan-2-yl acetate2-Methyl-4-phenyl-2-butanyl acetatealpha,alpha-Dimethylbenzenepropyl acetate2-Butanol, 2-methyl-4-phenyl-, acetatealpha,alpha-Dimethylbenzenepropanol acetate3-Acetoxy-3-methyl-1-phenylbutaneBenzenepropanol, alpha,alpha-dimethyl-, acetateBenzenepropanol, alpha,alpha-dimethyl-, 1-acetate
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 203
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (2-Methyl-4-phenyl-2-butyl acetate) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.986-0.990 (15 °C)
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in oils; Insoluble in water
Soluble (in ethanol)
Boiling Point
243.00 to 244.00 °C. @ 760.00 mm Hg
244 °C
Refractive Index1.488-1.490
Physical DescriptionColourless liquid; Jasmine and hyacinth-like aroma with a slight rosey undertone
물리화학적 성질
- 끓는 점
- 286 ℃ · 286℃
- 밀도
- 0.99 · 0.990
- 굴절률
- 1.486 · 1.4860 (estimate)
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 86.1% (235 of 273) of all reports.
Warning
H317 (13.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 273 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Benzenepropanol, .alpha.,.alpha.-dimethyl-, acetate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzenepropanol, .alpha.,.alpha.-dimethyl-, acetate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzenepropanol, .alpha.,.alpha.-dimethyl-, acetate: Environment tier I assessment
Hazard Classes and CategoriesSkin Sens. 1 (13.9%)
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-11789
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 InformationBenzenepropanol, .alpha.,.alpha.-dimethyl-, 1-acetate: ACTIVE
응용 분야
개요2-Methyl-4-phenyl-2-butyl acetate has a jasmine and hyacinth-like odor with a slightly rose undertone.
공급사11 곳
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
吉良化学21-62165282 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
BOC Sciences[email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
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