4-ベンジルフェノール

4-Benzylphenol

HCID 7563CAS 101-53-1
部分構造検索類似構造を探す

基本情報

標準SMILES
Oc1ccc(Cc2ccccc2)cc1
InChIKey
HJSPWKGEPDZNLK-UHFFFAOYSA-N
分子式
C13H12O
平均分子量
184.23 g/mol
単同位体質量
184.088815

名称と識別子

優先名称
4-Benzylphenol
IUPAC
4-benzylphenol
現地名
4-ベンジルフェノール
英語名
4-Benzylphenol
分子式
C13H12O
分子量
184.23

名称と別名

4-Benzylphenol101-53-1p-BenzylphenolPhenol, 4-(phenylmethyl)-4-HYDROXYDIPHENYLMETHANEFesiaseptDTXSID9047962NSC-8078CS02509J25DTXCID5027938para-benzylphenolRefChem:97985
名称をさらに表示
4-ベンジルフェノール4-ヒドロキシジタンフェニル4-ヒドロキシフェニルメタンp-ベンジルフェノールα-フェニル-p-クレゾールP-ヒドロキシジフェニルメタン４ベンジルフェノルP‐ベンジルフェノール4-ベンジルフェノール(4-ヒドロキシジフェニルメタン)p-ベンジルフェノ-ル4-ヒドロキシフェニルフェニルメタンBENZYLPHENOLai3-1932Fesia-sept
202-950-34-Hydroxyditane4-(Phenylmethyl)phenolalpha-Phenyl-p-cresolp-Hydroxydiphenyl methaneNSC 8078p-Cresol, .alpha.-phenyl-MFCD00002384

データベース識別子

CAS
101-53-1
PubChem CID
7563
DTXSID
DTXSID9047962
ChEMBL
CHEMBL611613
UNII
CS02509J25
EC Number
202-950-3
Nikkaji
J95.594I

物性

構造計算による物性

XLogP
3.5
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
14

実験および物理化学的性質

Vapor Pressure0.0000685 [mmHg]
Physical DescriptionSolid; [Merck Index] White crystalline solid; [Alfa Aesar MSDS]
Kovats Retention Index295.4

物理化学的性質

融点
79 · 79-81 °C(lit.)
沸点
198 · 198-200 °C10 mm Hg(lit.)
比重(密度)
1.012 · 1.0120 (rough estimate)
屈折率
1.5641 · 1.5641 (estimate)
闪点
320 · 320-322°C
貯蔵温度
Sealed in dry,Room Temperature

化学的性質

化学的特性White Solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 InformationPhenol, 4-(phenylmethyl)-: 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.
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Diphenylmethane.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

法規制情報

Regulatory InformationPhenol, 4-(phenylmethyl)-: 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
SM8330500
hs_code
2907.19.8000
risk_code
36/37/38
化審法
(3)-547

化学と産業

用途と製造

Uses · 2 件

Metabolite of diphenylmethane. [ChemIDplus] Used as a germicide, antiseptic, and preservative, and in organic syntheses; [Merck Index]

Using Disinfectants or Biocides [Category: Clean]

General Manufacturing InformationPhenol, 4-(phenylmethyl)-: INACTIVE

応用分野

使用4-Benzylphenol_x000D_(4-Hydroxydiphenylmethane) (cas# 101-53-1) is a compound useful in organic synthesis.

調製方法

純化方法Crystallise 4-benzylphenol from water. [Beilstein 6 H 675, 6 IV 4628.]

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]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

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