4-苄氧基-1-丁醇

4-Benzyloxy-1-butanol

HCID 562212CAS 4541-14-4

子结构检索查找相似结构

基本信息

标准SMILES: OCCCCOCc1ccccc1
InChIKey: TYROJDFHUXSBHC-UHFFFAOYSA-N
分子式: C11H16O2
平均分子量: 180.24 g/mol
单同位素质量: 180.11502975

名称与标识

首选名称: 4-Benzyloxy-1-butanol
IUPAC: 4-phenylmethoxybutan-1-ol
中文名: 4-苄氧基-1-丁醇
英文名: 4-Benzyloxy-1-butanol
分子式: C11H16O2
分子量: 180.24

名称与别名

4-Benzyloxy-1-butanol4541-14-44-benzyloxybutanolDTXSID70340167RefChem:518508DTXCID90291248610-249-24-(Benzyloxy)butan-1-ol4-phenylmethoxybutan-1-ol4-benzyloxybutan-1-ol1-Butanol, 4-(phenylmethoxy)-MFCD00155211

展开更多名称

4-苄氧-1-丁醇4-卞氧基-1-丁醇四亚甲基乙二醇单苯醚四亚甲基乙二醇单苄醚4-苄氧基-1-丁醇4-(苄基氧基)丁-1-醇4-(苄氧基)丁烷-1-醇4-Benzyloxy-1-butano4-Benzyloxybutane-1-ol4-(Benzyloxy)butane-1-ol4-Benzyloxy-1-butanol 97%4-Benzyloxy-1-butanol,97%4-Benzyloxy-1-butanol, 96 %

4-(Benzyloxy)-1-butanolTetramethylene glycol monobenzyl ether1-Butanol, 4-(benzyloxy)-4-benyloxybutanol4-benzyloxybutyl alcohol4-benzyloxy-butan-1-ol4-(Benzyloxy);butan-1-olSCHEMBL96048

数据库标识

CAS: 4541-14-4
PubChem CID: 562212
DTXSID: DTXSID70340167
EC Number: 610-249-2
Nikkaji: J99.563K

性质

结构计算性质

XLogP: 1.6
极性表面积: 29.5 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 6
重原子: 13
形式电荷: 0
复杂度: 109

物理化学性质

沸点: 216 · 216-256 °C (lit.)
密度: 1.025 g/mL · 1.025 g/mL at 25 °C (lit.)
折射率: 20 · n20/D 1.513(lit.)
闪点: 109 °C · 109 °C
储存条件: Keep in dark place,Sealed in dry,Room Temperature
溶解度: Chloroform (Slightly), Methanol (Slightly)
酸度系数(pKa): 15.07 · 15.07±0.10(Predicted)
形态: Oil
颜色: Colourless
比重: 1.025 · 1.025
BRN: 1944253 · 1944253
InChI: InChI=1S/C11H16O2/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2
InChIKey: TYROJDFHUXSBHC-UHFFFAOYSA-N
SMILES: C(O)CCCOCC1=CC=CC=C1

安全与法规

GHS分类

GHS Classification · 5 条

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): 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 40 reports by companies from 3 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.