기본 정보
- CAS
151-05-3- 표준 SMILES
CC(=O)OC(C)(C)Cc1ccccc1- InChIKey
FLUWAIIVLCVEKF-UHFFFAOYSA-N- 분자식
- C12H16O2
- 평균 분자량
- 192.25 g/mol
- 단동위원소 질량
- 192.11502975
개요
2-Methyl-1-phenyl-2-propanyl acetate is an alkylbenzene.
이름 및 식별자
- 우선 이름
- Dimethyl benzyl carbinyl acetate
- IUPAC
- (2-methyl-1-phenylpropan-2-yl) acetate
- 현지명
- 초산 디메틸벤질카비닐
- 영어명
- Dimethylbenzylcarbinyl acetate
- 분자식
- C12H16O2
- 분자량
- 192.25
이름 및 동의어
151-05-3Dimethylbenzylcarbinyl acetateDimethyl benzyl carbinyl acetate1,1-Dimethyl-2-phenylethyl acetateBenzyldimethylcarbinyl acetateBenzyldimethylcarbinol acetateDimethylbenzylcarbinol acetatealpha,alpha-Dimethylphenethyl acetateBenzyl dimethyl carbinyl acetate2-Benzyl-2-propyl acetateDimethylbenzyl carbinol acetateFEMA No. 2392
이름 더 보기
초산디메틸벤질카비닐DMBCAα,α-Dimethylphenethyl acetateFEMA 2392Benzyldimethylcarbinyl acetatα,α-Dimethylphenethyl acetateDimethylbenzylcarbinylDIMETHYL PHENYLETHYL ACETATE
alpha,alpha-Dimethylbenzeneethyl acetateDTXSID3041877Benzeneethanol, alpha,alpha-dimethyl-, 1-acetateEINECS 205-781-3alpha,alpha-Dimethylphenethyl alcohol, acetateBenzeneethanol, alpha,alpha-dimethyl-, acetateBRN 1941670Benzeneethanol, .alpha.,.alpha.-dimethyl-, acetate
데이터베이스 식별자
- CAS
151-05-3
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 190
실험 및 물리화학적 성질
CosmeticsCosmetics ingredient -> Fragrance
FragrancesFragrance Ingredient (1,1-Dimethyl-2-phenylethyl acetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.995-1.002
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in mineral oil, most fixed oils and propylene glycol; insoluble in water
Soluble (in ethanol)
Boiling Point249-251 °C
Melting Point30 °C
Refractive Index1.490-1.495
Physical Description
Dry Powder; Large Crystals; CBI; Liquid
Solid
White to colourless liquid or crystals at room temperature; Powerful floral, fruity aroma
물리화학적 성질
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 68.4% (1348 of 1971) of all reports.
H412 (29.4%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1971 reports by companies from 8 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Benzeneethanol, .alpha.,.alpha.-dimethyl-, acetate
Hazard Traits - Fragrance Allergen
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzeneethanol, .alpha.,.alpha.-dimethyl-, 1-acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzeneethanol, .alpha.,.alpha.-dimethyl-, 1-acetate are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 12-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19336
Benzeneethanol, .alpha.,.alpha.-dimethyl-, acetate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAquatic Chronic 3 (29.4%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- SG8100000
- 독성
- LD50 orl-rat: 3300 mg/kg FCTXAV 12,533,74
- HS 번호
- 29153900
- risk_code
- 36/38
- hazard_code
- Xi
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
U.S. Production2023: 8,500,000 - <10,000,000 lb
Consumer UsesProcessing aids not otherwise specified
Industry UsesFragrance
Household Products
Cosmetics product ingredient: 2-Methyl-1-phenyl-2-propyl acetate; Dimethylbenzyl Carbinyl Acetate (Dimethyl Phenethyl Acetate)
Information on 75 consumer products that contain alpha,alpha-Dimethylbenzeneethyl acetate in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Benzeneethanol, .alpha.,.alpha.-dimethyl-, 1-acetate: ACTIVE
응용 분야
출처Has apparently not been reported to occur in nature.
제조 방법
By acetylation of dimethylbenzyl carbinol.
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