水杨醇

Salicyl Alcohol

HCID 5146CAS 90-01-7
子结构检索查找相似结构

基本信息

标准SMILES
OCc1ccccc1O
InChIKey
CQRYARSYNCAZFO-UHFFFAOYSA-N
分子式
C7H8O2
平均分子量
124.14 g/mol
单同位素质量
124.0524295

概述

Salicyl alcohol is a hydroxybenzyl alcohol that is phenol substituted by a hydroxymethyl group at C-2. It has a role as a human urinary metabolite. It is a hydroxybenzyl alcohol and an aromatic primary alcohol. It is functionally related to a phenol and a benzyl alcohol.

名称与标识

首选名称
Salicyl Alcohol
IUPAC
2-(hydroxymethyl)phenol
中文名
水杨醇
英文名
2-Hydroxybenzyl alcohol
分子式
C7H8O2
分子量
124.14

名称与别名

salicyl alcohol2-HYDROXYBENZYL ALCOHOL90-01-72-(Hydroxymethyl)phenolSaligenino-Hydroxybenzyl alcoholBenzenemethanol, 2-hydroxy-SaligenolDiathesinSalicylalkoholSalicainDTXSID9045843
展开更多名称
柳醇水楊醇水杨醇鄰羥苄醇鄰羥苯甲醇邻羟苯甲醇邻羟基苄醇邻羟基苯甲醇2-羟基苄醇2-羟基苯甲醇Salicylic alcohol1‐(2‐Hydroxyphenyl)‐methanolSALIGENINEα,2-toluenediolo-Methylolphenol
NSC-3814FA1N0842KBCHEBI:16464DTXCID70258432-methylol phenol2-monomethylolphenolRefChem:884386201-960-5

数据库标识

CAS
90-01-7
PubChem CID
5146
DTXSID
DTXSID9045843
ChEMBL
CHEMBL280802
ChEBI
CHEBI:16464
UNII
FA1N0842KB
EC Number
201-960-5
Nikkaji
J4.312E

性质

结构计算性质

XLogP
0.7
极性表面积
40.5 Ų
氢键供体
2
氢键受体
2
可旋转键
1
重原子
9

实验与物化性质

Chemical ClassesOther Classes -> Phenols
LogP0.56
Vapor Pressure0.000825 [mmHg]
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionSolid

物理化学性质

熔点
83 · 83-85 °C(lit.)
沸点
190.92 °C · 190.92°C (rough estimate)
密度
1 · 1,613 g/cm3
折射率
1.5035 · 1.5035 (estimate)
储存条件
30 °C · Store below +30°C.
溶解度
5 %, · ethanol: soluble5%, clear to very slightly hazy, colorless to light yellow

化学性质

白色片状或针状结晶。熔点87℃，100℃升华。相对密度1.16（25℃）。易溶于醇、醚和氯仿，溶于15份水，溶于苯，不溶于石油醚。遇硫酸呈红色。

安全与法规

GHS分类

GHS Classification · 5 条

This chemical does not meet GHS hazard criteria for 35.2% (37 of 105) of reports.

Warning

H315 (64.8%): 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 105 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Regulatory Information · 2 条

Chemical: Benzenemethanol, 2-hydroxy-

Benzenemethanol, 2-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAllergic contact dermatitis reported in resin handlers; The other methylol phenols are also sensitizers: 3-methylol phenol (620-24-6) and 4-methylol phenol (623-05-2). [Kanerva, p. 1815]
Hazard Classes and CategoriesSkin Irrit. 2 (64.8%)

毒理信息

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.

安全数据

wgk
3
tsca
TSCA listed
RTECS号
DO6430000
安全说明
26-36
海关编码
29072900
危险品标志
Xi

化学与工业

用途与制造

Uses · 2 条

Used in phenol-formaldehyde resols; [Kanerva, p. 1815]

Plastic Composites Manufacturing [Category: Industry]

General Manufacturing InformationBenzenemethanol, 2-hydroxy-: ACTIVE

应用领域

用途用作医药、香料、农药的中间体。

用途用于制药工业

制备方法

生产方法有苯酚和甲醛溶液的混合物中加入乙酸锌，调pH为5-6，缓缓加热回流1小时，真空蒸馏除去水分和过量的苯酚，温度不超过100℃。釜中残留物用四氯化碳搅匀后静置，析出的水杨醇再用四氯化碳结晶一次得成品。

上下游产品信息

上游原料

试剂价格

HY-B1419R · 10 mg
水杨醇Salicyl alcohol (Standard) — 250元
HY-B1419R · 25 mg
水杨醇Salicyl alcohol (Standard) — 440元

供应商50 家

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

相关反应

87 条
新建反应记录

关联笔记

加载中…