2-メチル-3-フェニル-2-プロペン-1-オール

2-Methyl-3-phenyl-2-propen-1-ol

HCID 560879

基本情報

CAS
1504-55-8
標準SMILES
CC(=Cc1ccccc1)CO
InChIKey
LLNAMUJRIZIXHF-UHFFFAOYSA-N
分子式
C10H12O
平均分子量
148.2 g/mol
単同位体質量
148.088815

名称と識別子

優先名称
2-Methyl-3-phenyl-2-propen-1-ol
IUPAC
2-methyl-3-phenylprop-2-en-1-ol
現地名
2-メチル-3-フェニル-2-プロペン-1-オール
英語名
2-Methyl-3-phenyl-2-propen-1-ol
分子式
C10H12O
分子量
148.2

名称と別名

1504-55-82-Methyl-3-phenyl-2-propen-1-ol2-Propen-1-ol, 2-methyl-3-phenyl-DTXSID1061738RefChem:478649DTXCID30348762-methyl-3-phenyl-2-propenol2-methyl-3-phenyl-prop-2-en-1-olalpha-methyl cinnamyl alcoholSCHEMBL295402orb3028078SCHEMBL3470164
名称をさらに表示
2-メチル-3-フェニル-2-プロペン-1-オール2-メチル-3-フェニルアリルアルコール[2R,3E,(+)]-4-フェニル-3-ブテン-2-オール(2R,3E)-4-フェニル-3-ブテン-2-オール2-ベンジリデン-1-プロパノール2-メチル-1-フェニルプロペン-3-オール(+)-メチルスチリルカルビノール3-フェニル-2-メチル-2-プロペン-1-オール(R,E)-4-フェニル-3-ブテン-2-オール(1E,3R)-1-フェニル-1-ブテン-3-オール[R,E,(+)]-4-フェニル-3-ブテン-2-オールα-メチルシンナミルアルコール2-メチル-3-フェニルプロパ-2-エン-1-オールtrans-2-メチル-3-フェニル-2-プロペン-1-オール2-Methyl-3-phenylprop-2-en-1-ol(E)-2-Methyl-3-phenylprop-2-en-1-olMETHYLSTYRYLCARBINOL2-methyl-3-phenyl-2-methylcinnamicalcohol2-Benzylidene-1-propanolα-Methylcinnamyl alcohola-Methylcinnamyl Alcohol(2E)-3-Phenyl-2-buten-1-olalpha-methyl-cinnamylalcoho
LLNAMUJRIZIXHF-UHFFFAOYSA-N3-Phenyl-2-methyl-2-propen-1-olAKOS026730688F9800896681-14-7

データベース識別子

CAS
1504-55-8
PubChem CID
560879
DTXSID
DTXSID1061738
EC Number
216-128-7

物性

構造計算による物性

XLogP
2.3
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

物理化学的性質

融点
24 · 24-25 °C(Solv: ligroine (8032-32-4))
沸点
77 °C0.1 · 77 °C0.1 mm Hg(lit.)
比重(密度)
1.03 g/mL · 1.03 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.572(lit.)
闪点
230 °F · >230 °F
溶解性
Almost insoluble in water, soluble in alcohol and oils.

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 13.8% (22 of 159) of reports.

Warning

H315 (85.5%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (32.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (24.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 159 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 22 of 159 reports by companies.;There are 6 notifications provided by 137 of 159 reports by companies with hazard statement code(s).;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 · 2 件

Chemical: 2-Propen-1-ol, 2-methyl-3-phenyl-

2-Propen-1-ol, 2-methyl-3-phenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationIMAP assessments - 2-Propen-1-ol, 2-methyl-3-phenyl-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (85.5%);Eye Irrit. 2 (32.1%);STOT SE 3 (24.5%)

法規制情報

Regulatory Information · 2 件

Chemical: 2-Propen-1-ol, 2-methyl-3-phenyl-

2-Propen-1-ol, 2-methyl-3-phenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

安全データ

wgk
2
tsca
TSCA listed
rtecs
GE2340000
毒性
The acute oral LD50 in rats was reported as 2.4 ml/kg (1.9-3.0 ml/kg) (Levenstein, 1974). The acute dermal LD50 in rabbits exceeded 5 g/kg (Levenstein, 1974).
hs_code
2906290090
risk_code
36/37/38

化学と産業

用途と製造

Use ClassificationFragrance Ingredients
General Manufacturing Information2-Propen-1-ol, 2-methyl-3-phenyl-: ACTIVE

応用分野

天然物の起源Has apparently not been reported to occur in nature

使用trans-2-Methyl-3-phenyl-2-propen-1-ol was used in the preparation of 5-methyl-4-phenyl-5-hexen-2-one.

調製方法

製造方法By selective hydrogenation of methylcinnamic aldehyde

サプライヤー52 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]

関連反応

6 件

化合物ノート

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