4-フェニルシクロヘキサノール(CIS-,TRANS-混合物)

4-Phenylcyclohexanol

HCID 79497CAS 5437-46-7

部分構造検索類似構造を探す

基本情報

標準SMILES: OC1CCC(c2ccccc2)CC1
InChIKey: YVVUSIMLVPJXMY-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-Phenylcyclohexanol
IUPAC: 4-phenylcyclohexan-1-ol
現地名: 4-フェニルシクロヘキサノール(CIS-,TRANS-混合物)
英語名: 4-PHENYLCYCLOHEXANOL
分子式: C12H16O
分子量: 176.25

名称と別名

4-Phenylcyclohexanol5437-46-74-Phenylcyclohexan-1-olDTXSID90969470RefChem:1071408DTXCID90905454226-613-5trans-4-phenylcyclohexanol5769-13-1cis-4-Phenylcyclohexan-1-ol7335-12-8Cyclohexanol, 4-phenyl-

名称をさらに表示

4-フェニルシクロヘキサノール(CIS-,TRANS-混合物)4-フェニルシクロヘキサノール4-フェニル-1-シクロヘキサノール4-フェニルシクロヘキサン-1-オール4-フェニルシクロヘキシルアルコールRMA-266NSC 17139NSC 16118TIMTEC-BB SBB0085794-Phenylcyclohexanol,c&t4-Phenylcyclohexanol,98+%4-PHENYLCYCLOHEXANOL ---WHITE CRYSTALS, 99%---

cis-4-phenylcyclohexanoltrans-4-Phenylcyclohexan-1-ol4alpha-Phenylcyclohexan-1alpha-ol(1R,4R)-4-PHENYLCYCLOHEXAN-1-OL(1r,4r)-4-Phenylcyclohexanol(1s,4s)-4-phenylcyclohexan-1-olMFCD00013757MFCD09259965

データベース識別子

CAS: 5437-46-7、5769-13-1、7335-12-8
PubChem CID: 79497
DTXSID: DTXSID101373146
EC Number: 226-613-5、227-295-0、230-841-0
Nikkaji: J81.032K、J81.090H、J81.372I

物性

構造計算による物性

XLogP: 2.6
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

物理化学的性質

融点: 116 · 116-118℃
沸点: 295.8 · 295.8±29.0℃ (760 Torr)
比重(密度): 1.051 · 1.051±0.06 g/cm3 (20 ºC 760 Torr)
闪点: 113.3 · 113.3±16.5℃
貯蔵温度: Sealed in dry,Room Temperature
酸解離定数(Pka): 15.18 · 15.18±0.40(Predicted)

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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 39 reports by companies from 2 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.