4-Cyclohexylphenol

HCID 14327CAS 1131-60-8

基本情報

標準SMILES: Oc1ccc(C2CCCCC2)cc1
InChIKey: OAHMVZYHIJQTQC-UHFFFAOYSA-N
分子式: C12H16O
平均分子量: 176.25 g/mol
単同位体質量: 176.12011513

名称と識別子

優先名称: 4-Cyclohexylphenol
IUPAC: 4-cyclohexylphenol
英語名: 2-/4-Cyclohexylphenol
分子式: C24H32O2
分子量: 352.51

名称と別名

4-CYCLOHEXYLPHENOL1131-60-8p-CyclohexylphenolPhenol, 4-cyclohexyl-Phenol, p-cyclohexyl-4-Hydroxyphenylcyclohexanep-Hydroxyphenylcyclohexane2(4)-CyclohexylphenolPhenol, 2(or 4)-cyclohexyl-M5536IXU6KNSC 5245NSC-5245

名称をさらに表示

CYCLOHEXYLPHENOL2-/4-Cyclohexylphenol

EINECS 214-465-4AI3-09330OAHMVZYHIJQTQC-UHFFFAOYSA-DTXSID50862559RefChem:522341Phenol, p-cyclohexyl-(8CI)DTXCID30811303214-465-4

データベース識別子

CAS: 1131-60-8、72495-97-7
PubChem CID: 14327
DTXSID: DTXSID50862559
UNII: M5536IXU6K
EC Number: 214-465-4
Nikkaji: J95.547G

物性

構造計算による物性

XLogP: 4.2
極性表面積: 20.2 Å²
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: 1
重原子数: 13
形式電荷: 0
複雑度: 141

実験および物理化学的性質

SpringerMaterials PropertiesChemical structure

LogP4.22

Endocrine DisruptorsPotential endocrine disrupting compound

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

物理化学的性質

Dielectric constant: 4 · 4.0(54℃)
EPAの化学物質情報: 2 · Phenol, 2(or 4)-cyclohexyl- (72495-97-7)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H315 (34.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 113 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Phenol, 4-cyclohexyl-

Status: Active Update: 12-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21303

4-Cyclohexylphenol: 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.

Hazard Classes and CategoriesSkin Irrit. 2 (34.5%)