4-苯基环己酮

苯基环己酮 · 苯基环已酮 · 苯基环己基酮 · 4-苯基环乙酮 · 4-苯基环己酮 · 4-苯基环已酮 · 4-苯基环己酮, 98+% · 4-苯基环己酮, 99%+

标识与物理属性

CAS No.	4894-75-1
分子式	C12H14O
平均分子量	174.24 g/mol
单同位素质量	174.10446507 g/mol
SMILES	O=C1CCC(c2ccccc2)CC1
InChIKey	YKAYMASDSHFOGI-UHFFFAOYSA-N
PubChem CID	78605
EC No.	225-517-0
DTXSID	DTXSID80197644
中文名	4-苯基环己酮

XLogP	2.1
极性表面积	17.1
氢键供体	0
氢键受体	1
可旋转键	1
重原子	13
形式电荷	0
复杂度	170
物质类别	Other Classes -> Aromatic Ketones
SpringerMaterials Properties	Chemical structure
蒸气压	0.00233 [mmHg]
Physical Description	White or cream powder[Alfa Aesar MSDS]
熔点	73-77 °C (lit.)
沸点	158-160°C 16mm
密度	0.97 g/cm3 (25℃)
折射率	1.5363 (estimate)
闪点	100°C
储存条件	Sealed in dry,Room Temperature
溶解性	Chloroform, Methanolslightly soluble
形态	Crystalline Powder
颜色	White to off-white
BRN	2045904
InChI	InChI=1S/C12H14O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKey	YKAYMASDSHFOGI-UHFFFAOYSA-N
SMILES	C1(=O)CCC(C2=CC=CC=C2)CC1
CAS 数据库	4894-75-1(CAS DataBase Reference)

GHS 分类	This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.WarningH315 (66.7%): Causes skin irritation [Warning Skin corrosion/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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
法规信息	Cyclohexanone, 4-phenyl-: Does not have an individual approval but may be used under an appropriate group standard
危害概述	May cause irritation[Alfa Aesar MSDS] See Cyclohexanone.
Hazard Classes and Categories	Skin Irrit. 2 (66.7%)
水危害等级（WGK）	3
hazard_note	Irritant
储存类别	11 - Combustible Solids
安全说明（S）	22-24/25
海关编码	29143900
危险品标志	Xi