2-メチル-1-フェニル-2-プロパノール

2-Methyl-1-phenyl-2-propanol

HCID 7531CAS 100-86-7
部分構造検索類似構造を探す

基本情報

標準SMILES
CC(C)(O)Cc1ccccc1
InChIKey
RIWRBSMFKVOJMN-UHFFFAOYSA-N
分子式
C10H14O
平均分子量
150.22 g/mol
単同位体質量
150.10446507

名称と識別子

優先名称
2-Methyl-1-phenyl-2-propanol
IUPAC
2-methyl-1-phenylpropan-2-ol
現地名
2-メチル-1-フェニル-2-プロパノール
英語名
2-Methyl-1-phenyl-2-propanol
分子式
C10H14O
分子量
150.22

名称と別名

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-
名称をさらに表示
2-メチル-1-フェニル-2-プロパノールα,α-ジメチルフェネチルアルコール1-フェニル-2-メチルプロパン-2-オールベンジルジメチルカルビノール1-フェニル-2-メチル-2-プロパノールα,α-ジメチルベンゼンエタノールジメチルベンジルカルビノール2-ベンジル-2-プロパノール2-メチル-3-フェニル-2-プロパノール1,1-ジメチル-2-フェニルエタノール2‐メチル‐1‐フェニル‐2‐プロパノール2-メチル-1-フェニル-2-プロパノール, 98+%2-メチル-1-フェニルプロパン-2-オールDarocur 11731-PHENYL-2-METHYL-2-PROPANOLFEMA 2393surolene
DTXCID9027601RefChem:410249202-896-02-Benzyl-2-propanolBenzyldimethylcarbinoldimethyl benzyl carbinolPhenyl-tert-butanol1,1-Dimethyl-2-phenylethanol

データベース識別子

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

物性

構造計算による物性

XLogP
2.2
極性表面積
20.2 Ų
水素結合供与体数
1
水素結合受容体数
1
回転可能結合数
2
重原子数
11

実験および物理化学的性質

Density0.972-0.977
Solubility · 2 件

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 · 3 件

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

物理化学的性質

融点
23 · 23-25 °C(lit.)
沸点
94 · 94-96 °C10 mm Hg(lit.)
比重(密度)
0.974 g/mL · 0.974 g/mL at 25 °C(lit.)
蒸気圧
1 hPa · 1hPa at 25℃
FEMA
2393 · 2393 | ALPHA,ALPHA-DIMETHYLPHENETHYL ALCOHOL
屈折率
20 · n20/D 1.514(lit.)
化学的性質 · 1 件

化学的特性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.

安全と法規制

GHS分類

GHS Classification · 6 件

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.

危険有害性情報

Regulatory Information · 4 件

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 · 1 件

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 · 2 件

Acute Tox. 4 (100%)

Acute toxicity (Oral) - Category 4

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome

法規制情報

Regulatory Information · 4 件

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

安全データ

wgk
2
tsca
TSCA listed
rtecs
SG8050000
毒性
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_code
29062900
risk_code
22

化学と産業

薬理情報

Cellular LocationsCytoplasm；Extracellular

用途と製造

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 · 6 件

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
応用分野 · 3 件

用途セッケン、洗剤、化粧品の香料

天然物の起源Reported found in cocoa.

使用2-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.

調製方法

製造方法From acetone and benzyl magnesium chloride or benzyl magnesium bromide.

上流・下流製品情報

サプライヤー50 社

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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