Cyclohexylbenzene

HCID 13229CAS 19016-95-6

部分構造検索類似構造を探す

基本情報

標準SMILES: c1ccc(C2CCCCC2)cc1
InChIKey: IGARGHRYKHJQSM-UHFFFAOYSA-N
分子式: C12.H16
平均分子量: 160.25 g/mol
単同位体質量: 160.12520051

概要

pyrolysis product of phencyclidine

名称と識別子

優先名称: Cyclohexylbenzene
IUPAC: cyclohexylbenzene
英語名: Cyclohexylbenzene
分子式: C12H16
分子量: 160.25544

名称と別名

Cyclohexylbenzene827-52-1PhenylcyclohexaneBenzene, cyclohexyl-4-CyclohexylbenzeneSantosol 360TRJ2SXT894DTXSID3061188NSC-40473NSC-69101RefChem:129704DTXCID3048318

名称をさらに表示

212-572-0682-391-3cyclohexyl-benzeneCyclohexane, phenyl-MFCD000014511,1'-Biphenyl, 1,2,3,4,5,6-hexahydro-Cyclohexyl benzene19016-95-6

データベース識別子

CAS: 19016-95-6、827-52-1
PubChem CID: 13229
DTXSID: DTXSID3061188
ChEMBL: CHEMBL3278514
UNII: TRJ2SXT894
EC Number: 212-572-0、682-391-3
Nikkaji: J21.935E

物性

構造計算による物性

XLogP: 4.9
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 1
重原子数: 12
形式電荷: 0
複雑度: 116

実験および物理化学的性質

Chemical ClassesOther Classes -> Aromatic Hydrocarbons

SpringerMaterials PropertiesBoiling point

LogP5.54

Density0.938 @25 °C

Boiling Point240 °C @760 [mm Hg]

Vapor Pressure · 2 件

0.03 [mmHg]

1 [mm Hg] @67.5 °C

物理化学的性質

融点: 7.3 °C · 7.3 °C
沸点: 240.1 °C · 240.1 °C
比重(密度): 0.982 g/cm3 · 0.982 g/cm3(Temp: 14 °C)

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 6% (13 of 215) of reports.

Danger

H302 (19.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P302+P352, P305+P351+P338, P321, P330, P331, P332+P317, P337+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 215 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

危険有害性情報

Regulatory Information · 3 件

Benzene, cyclohexyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, cyclohexyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 24-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5362

Benzene, cyclohexyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA severe skin irritant; Causes somnolence and effects on food intake in dermal lethal-dose studies of rabbits; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS] See Biphenyl.

DOT Hazard Classification · 2 件

Phenylcyclohexane

Marine pollutant

Hazard Classes and Categories · 2 件

Acute Tox. 4 (19.1%)

Skin Irrit. 2 (100%)

安全と保護具

Protective Action Criteria (PAC) · 3 件

0.81 [mg/m3]

8.9 [mg/m3]

54 [mg/m3]

安全データ

注意喚起語: 警告
危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H315

化学と産業

用途と製造

UsesPyrolysis product of phencyclidine. [ChemIDplus]

U.S. Production2023: 550,000 - <1,000,000 lb

Industry UsesHeat transferring agent

General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

Benzene, cyclohexyl-: ACTIVE

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