2-메틸-1-페닐-2-프로판올

2-Methyl-1-phenyl-2-propanol

HCID 7531CAS 100-86-7
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(C)(O)Cc1ccccc1
InChIKey
RIWRBSMFKVOJMN-UHFFFAOYSA-N
분자식
C10H14O
평균 분자량
150.22 g/mol
단동위원소 질량
150.10446507

이름 및 식별자

우선 이름
2-Methyl-1-phenyl-2-propanol
IUPAC
2-methyl-1-phenylpropan-2-ol
현지명
2-메틸-1-페닐-2-프로판올
영어명
2-Methyl-1-phenyl-2-propanol
분자식
C10H14O
분자량
150.22

이름 및 동의어

2-Methyl-1-phenyl-2-propanol100-86-72-Methyl-1-phenylpropan-2-ol1,1-DimethylphenylethanolDMBCDimethylbenzylcarbinolBenzylpropyl alcoholFEMA No. 2393DTXSID1047601N95NCI59MIBenzeneethanol, alpha,alpha-dimethyl-PHENETHYL ALCOHOL, alpha,alpha-DIMETHYL-
이름 더 보기
2-메틸-1-페닐-2-프로판올Darocur 11731-PHENYL-2-METHYL-2-PROPANOLFEMA 2393surolene
DTXCID9027601RefChem:410249202-896-02-Benzyl-2-propanolBenzyldimethylcarbinoldimethyl benzyl carbinolPhenyl-tert-butanol1,1-Dimethyl-2-phenylethanol

데이터베이스 식별자

CAS
100-86-7
PubChem CID
7531
DTXSID
DTXSID1047601
ChEMBL
CHEMBL3183743
ChEBI
CHEBI:195903
UNII
N95NCI59MI
EC Number
202-896-0
Nikkaji
J9.769A

물성

구조 계산 물성

XLogP
2.2
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
2
무거운 원자 수
11

실험 및 물리화학적 성질

Density0.972-0.977
Solubility · 2건

Soluble in mineral oil, most fixed oils and propylene glycol; insoluble in water

Soluble (in ethanol)

Boiling Point214-216 °C
Melting Point24 °C
Refractive Index1.514-1.517 (as supercooled liquid)
Physical Description · 3건

Colorless liquid or melt; mp = 23-25 deg C; [Alfa Aesar MSDS]

Solid

Colourless to pale yellow viscous liquid or white crystalline solid; Warm, herbaceous, floral aroma

물리화학적 성질

녹는점
23 · 23-25 °C(lit.)
끓는 점
94 · 94-96 °C10 mm Hg(lit.)
밀도
0.974 g/mL · 0.974 g/mL at 25 °C(lit.)
증기압
1 hPa · 1hPa at 25℃
FEMA
2393 · 2393 | ALPHA,ALPHA-DIMETHYLPHENETHYL ALCOHOL
굴절률
20 · n20/D 1.514(lit.)
화학적 성질 · 1건

2-Methyl-1-phenyl-2-propanol has not yet been found in nature. The alcohol has a floral, herbaceous odor, reminiscent of lilac, and is prepared by a Grignard reaction of benzylmagnesium chloride and acetone. It is used in perfumery for various flower notes (e.g., lilac, hyacinth, mimosa). The alcohol is stable to alkali and is thus suited for soap perfumes. It is used to prepare a number of esters, which are also used as fragrance substances.

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1866 reports by companies from 8 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 4건

Chemical: Benzeneethanol, .alpha.,.alpha.-dimethyl-

Regulation (EC) No 1831/2003 (amended)

Status: Active Update: 30-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/21328

2-Methyl-1-phenyl-2-propanol: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1건

Causes somnolence, coma, and gastritis in oral lethal-dose studies of rodents; [RTECS] Safe when used as a flavoring agent in food; [EC: EFSA] May cause irritation; Harmful by ingestion; [Alfa Aesar MSDS] See alpha-Methylbenzyl alcohol and Phenylethyl alcohol.

Hazard Classes and Categories · 2건

Acute Tox. 4 (100%)

Acute toxicity (Oral) - Category 4

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

규제 정보

Regulatory Information · 4건

Chemical: Benzeneethanol, .alpha.,.alpha.-dimethyl-

Regulation (EC) No 1831/2003 (amended)

Status: Active Update: 30-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/21328

2-Methyl-1-phenyl-2-propanol: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
SG8050000
독성
The acute oral LD50 in rats was reported as 1.35 g/kg (1.02-1.68 g/kg) (Moreno, 1973). The acute dermal LD50 in rabbits was reported as > 5 g/kg (Moreno, 1973).
HS 번호
29062900
risk_code
22

화학 및 산업

약리 정보

Cellular LocationsCytoplasm；Extracellular

용도 및 제조

UsesUsed as a flavoring agent; [FDA]
Household ProductsInformation on 1 consumer products that contain Dimethylbenzyl Carbinol in the following categories is provided:；• Commercial / Institutional
Use Classification · 6건

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 InformationBenzeneethanol, .alpha.,.alpha.-dimethyl-: ACTIVE

응용 분야

출처Reported found in cocoa.

용도2-Methyl-1-phenyl-2-propanol is used in confecting floral essences, such as lily, narcissus, jasmine and keiskei and other advanced floral essences. Its acetic ester has fresh fragrance so that it has especial value.

제조 방법

From acetone and benzyl magnesium chloride or benzyl magnesium bromide.

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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