3-甲氧基水杨酸 (HCID 70140)

名称与标识

首选名称: 3-Methoxysalicylic acid
IUPAC: 2-hydroxy-3-methoxybenzoic acid
中文名: 3-甲氧基水杨酸
英文名: 3-Methoxysalicylic acid
分子式: C8H8O4
分子量: 168.15

名称与别名

3-Methoxysalicylic acid2-Hydroxy-3-methoxybenzoic acid877-22-5o-Vanillic acidm-Anisic acid, 2-hydroxy-3J31Y0E2IMNSC-134533NSC-408167CHEBI:68496DTXSID20236566RefChem:94666DTXCID50159057

展开更多名称

3-甲氧基水杨酸2-羟基-3-甲氧基苯甲酸3-甲氧基-2-羟基苯甲酸3-甲氧基水杨酸, 97+%2-羟基-3-甲氧基苯甲酸, 98+%罗恩 3-甲氧基水杨酸 R023156-5g2-羟基-3-甲氧基苯甲酸/3-甲氧基水杨酸/愈创木酚-3-羧酸/O-香草酸ortho-vanillic acid3-MethoxysaL2-VANILLIC ACIDRARECHEM AL BE 0033acideorthovanillique3-Methoxysalicylic a2-hydroxy-m-anisicaci3-methoxysalicylicaci

212-888-9Benzoic acid, 2-hydroxy-3-methoxy-Acide orthovanillique3-Hydroxy-m-anisic acidMFCD000024452-hydroxy-3-methoxy-benzoic acid2-Hydroxy-3-Methoxy Benzoic AcidWLN: QVR BQ CO1

数据库标识

CAS: 877-22-5
PubChem CID: 70140
DTXSID: DTXSID20236566
ChEMBL: CHEMBL450441
ChEBI: CHEBI:68496
UNII: 3J31Y0E2IM
EC Number: 212-888-9
Nikkaji: J55.236D

性质

结构计算性质

XLogP: 1.9
极性表面积: 66.8 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 2
重原子: 12
形式电荷: 0
复杂度: 168

实验与物化性质

Physical DescriptionSolid

物理化学性质

熔点: 147 · 147-150 °C(lit.)
沸点: 217.07 °C · 217.07°C (rough estimate)
密度: 1.1816 · 1.1816 (rough estimate)
折射率: 1.4611 · 1.4611 (estimate)
储存条件: Sealed in dry,Room Temperature
溶解度: DMSO (Slightly), Methanol (Slightly)
形态: Solid
酸度系数(pKa): 2.85 · 2.85±0.10(Predicted)
颜色: Off-White to Beige
BRN: 2209642 · 2209642
InChI: 1S/C8H8O4/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,9H,1H3,(H,10,11)
InChIKey: AUZQQIPZESHNMG-UHFFFAOYSA-N
SMILES: COc1cccc(C(O)=O)c1O
LogP: 1.94 · 1.940
CAS 数据库: 877 · 877-22-5(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 6 条

This chemical does not meet GHS hazard criteria for 4.3% (2 of 47) of reports.

Warning

H315 (95.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (93.6%): 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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 2 of 47 reports by companies.；There are 5 notifications provided by 45 of 47 reports by companies with hazard statement code(s).；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.

危害信息

Regulatory InformationChemical: Benzoic acid, 2-hydroxy-3-methoxy-

Hazard Classes and CategoriesSkin Irrit. 2 (95.7%)；Eye Irrit. 2 (95.7%)；STOT SE 3 (93.6%)

法规信息

Regulatory InformationChemical: Benzoic acid, 2-hydroxy-3-methoxy-

安全数据

wgk: 3
RTECS号: BZ4840000
存储类别: 11 - Combustible Solids
安全说明: 26-37/39-36
海关编码: 29189900
危险品标志: Xi,Xn
危险性类别: Eye Irrit. 2Skin Irrit. 2STOT SE 3
危险类别码: 36/37/38-20/21/22

化学与工业

上下游产品信息

下游产品

试剂价格

M1153 · 5G: 3-甲氧基水杨酸3-Methoxysalicylic Acid — 90元
M1153 · 25G: 3-甲氧基水杨酸3-Methoxysalicylic Acid — 390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]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

关联笔记

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3-甲氧基水杨酸

基本信息