2-ベンジルフェノール

2-Benzylphenol

HCID 24216CAS 1322-51-6

基本情報

標準SMILES
Oc1ccccc1Cc1ccccc1
InChIKey
CDMGNVWZXRKJNS-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
2-Benzylphenol
IUPAC
2-benzylphenol
現地名
2-ベンジルフェノール
英語名
2-Hydroxydiphenylmethane
分子式
C13H12O
分子量
184.23

名称と別名

2-Benzylphenol28994-41-42-Hydroxydiphenylmethaneo-BenzylphenolPhenol, 2-(phenylmethyl)-SF555BL24ODTXSID0067428ortho-benzylphenolRefChem:855205DTXCID9037903249-361-8Benzylphenol
名称をさらに表示
2-ベンジルフェノールα-フェニル-o-クレゾールo-ベンジルフェノールo-ベンジルフェノ-ル2-ヒドロキシジフェニルメタンA-PHENYL-O-CRESOLα-Phenyl-o-cresol2-Benzylphenol>2-Benzylphenol,99%ALPHA-PHENYLCRESOLORTHO BENZYL PHENOL
Delegol T2-(Phenylmethyl)phenol1322-51-62-Benzyl-phenol2-benzyl phenolo-Cresol, .alpha.-phenyl-MFCD00002242CHEMBL122649

データベース識別子

CAS
1322-51-6、28994-41-4
PubChem CID
24216
DTXSID
DTXSID0067428
ChEMBL
CHEMBL122649
UNII
SF555BL24O
EC Number
215-339-1、249-361-8
Nikkaji
J94.943D

物性

構造計算による物性

XLogP
3.6
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

Physical DescriptionLiquid or crystals; mp = 20.2-20.9 deg C; [Merck Index] Light brown crystalline solid; mp = 50-54 deg C; [Alfa Aesar MSDS]

物理化学的性質

融点
49 · 49-51 °C (lit.) 49-51 °C
沸点
312 °C · 312 °C (lit.)
比重(密度)
1.012 · 1.0120 (rough estimate)
屈折率
20 · nD20 1.59945
闪点
230 °F · >230 °F
貯蔵温度
Inert atmosphere,Room Temperature

化学的性質

化学的特性colorless to red-pink crystals

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.

Warning

H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (95.7%): 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 46 reports by companies.;There are 5 notifications provided by 45 of 46 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

Status: Active Update: 19-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19809

Phenol, 2-(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. See Phenol.
Hazard Classes and Categories · 2 件

Skin Irrit. 2 (97.8%);Eye Irrit. 2 (97.8%);STOT SE 3 (95.7%)

Not Classified

法規制情報

Regulatory Information · 2 件

Status: Active Update: 19-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19809

Phenol, 2-(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
3
tsca
TSCA listed
hs_code
29071990
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36-37/39

化学と産業

用途と製造

UsesMetabolite of diphenylmethane. [ChemIDplus]
General Manufacturing InformationPhenol, 2-(phenylmethyl)-: INACTIVE

応用分野

使用2-Benzylphenol was used as starting reagent in the synthesis of 2-benzylacetate. It was also used in the the synthesis of 6- and 8-benzyl derivatives of 2-(dialkylamino)chromones.

調製方法

純化方法Distil 2-benzylphenol in a vacuum and recrystallise it from EtOH. It has a stable form with m ~52o and an unstable form with m 21o. [Beilstein 6 H 675, 6 IV 4628.]

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

関連反応

17 件

関連ノート

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