기본 정보
- CAS
103-05-9- 표준 SMILES
CC(C)(O)CCc1ccccc1- InChIKey
YXVSKJDFNJFXAJ-UHFFFAOYSA-N- 분자식
- C11H16O
- 평균 분자량
- 164.24 g/mol
- 단동위원소 질량
- 164.12011513
개요
2-methyl-4-phenyl-2-butanol is a tertiary alcohol that is benzene substituted by a 3-hydroxy-3-methylbutyl group. It has a role as a flavouring agent and a fragrance. It is a member of benzenes and a tertiary alcohol.
이름 및 식별자
- 우선 이름
- 2-Methyl-4-phenyl-2-butanol
- IUPAC
- 2-methyl-4-phenylbutan-2-ol
- 현지명
- 메틸페닐부탄올
- 영어명
- 2-Methyl-4-phenyl-2-butanol
- 분자식
- C11H16O
- 분자량
- 164.24
이름 및 동의어
2-Methyl-4-phenyl-2-butanol103-05-92-Methyl-4-phenylbutan-2-ol1,1-Dimethyl-3-phenylpropanol1,1-Dimethyl-3-phenyl-1-propanol2-(2-Phenylethyl)-2-propanolalpha,alpha-DimethylbenzenepropanolFEMA No. 36291-Propanol, 1,1-dimethyl-3-phenyl-DTXSID3021851Benzenepropanol, alpha,alpha-dimethyl-9Y5UX90TZ4
이름 더 보기
메틸페닐부탄올2-메틸-4-페닐-2-부타놀Benzenepropanol, .alpha.,.alpha.-dimethyl-muguet carbinolα,α-Dimethylbenzenepropanol2-methyl-4-phenyl-butan-2-olPhenylethyl dimethyl carbinolFEMA 3629
NSC-62145DTXCID601851RefChem:475594203-074-4Benzyl-tert-butanolDimethylphenylethylcarbinolBenzyl-t-butanolDimethylphenethylcarbinol
데이터베이스 식별자
- CAS
103-05-9- PubChem CID
- 7632
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 20.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 123
실험 및 물리화학적 성질
CosmeticsMasking
SpringerMaterials PropertiesOptical coefficient
FragrancesFragrance Ingredient (2-Methyl-4-phenyl-2-butanol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.960-0.966
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in fats; Slightly soluble in water
Soluble (in ethanol)
Boiling Point144 °C (85 mm Hg)
Melting Point29 - 30 °C
Refractive Index1.506-1.512
Physical Description
Solid
Colourless liquid; Lily, rose sweetness aroma
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 17.3% (311 of 1797) of reports.
Warning
H319 (79.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1797 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Benzenepropanol, .alpha.,.alpha.-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 06-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22583
Benzenepropanol, .alpha.,.alpha.-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesEye Irrit. 2A (79.9%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- EL5785000
- 독성
- LD50 orl-rat: 2200 mg/kg FCTXAV 12,517,74
- HS 번호
- 29062990
- risk_code
- 41
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- 기존화학 물질
- KE-24808
- Hazard Classifications
- Eye Dam. 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
Household ProductsInformation on 5 consumer products that contain Methyl Phenylbutanol 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
Cosmetics -> Masking
General Manufacturing InformationBenzenepropanol, .alpha.,.alpha.-dimethyl-: ACTIVE
응용 분야
개요2-Methyl-4-phenyl-2-butanol has a floral green, fruity, linalool character with a mildly herbaceous odor. May be prepared by reaction of phenylethyl magnesium chloride with acetone.
출처Has apparently not been reported to occur in nature.
용도2-Phenethyl-2-propanol is a useful reagent in preparation of phenyldimethylsilyl group as a masked hydroxy group.
제조 방법
By reaction of phenylethyl magnesium chloride with acetone
상·하류 제품 정보
상류 원료
하류 제품
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