4-Hydroxy-3-methylbenzoic acid 3-甲基-4-羟基苯甲酸

CAS 499-76-3 MFCD00270105

化学结构图

499-76-3
SMILES: Cc1cc(C(=O)O)ccc1O

化学属性

Mol. FormulaC8H8O3
Mol. Weight152.15
Melting Point173-177°C
TSCANo
Boiling Point331.3°C at 760 mmHg

别名和识别编码

Chemical Name4-Hydroxy-3-methylbenzoic acid
CAS Number499-76-3
Alfabeta NameHYDROXYMETHYLBENZOICACID 43---
MDL NumberMFCD00270105
Synonym 4-Hydroxy-3-methylbenzoic acid {LY} 4-Hydroxy-3-methylbenzoic acid {} {LY} 4-Hydroxy-3-methylbenzoic acid {} {} {LY} 4-Hydroxy-3-methylbenzoic acid {} {} {} {LY} 4-Hydroxy-3-methylbenzoic acid {} {} {} {} {LY} 4-Hydroxy-3-methylbenzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxy-3-methylbenzoic acid {} {} {} {} {} {} {LY} 4-Hydroxy-3-methylbenzoic acid {} {} {} {} {} {} {} {LY} 4-Hydroxy-3-methylbenzoic acid {} {} {} {} {} {} {} {} {LY} 4-Hydroxy-3-methylbenzoic acid {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxy-3-methylbenzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxy-3-methylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxy-3-methylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxy-3-methylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxy-3-methylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxy-3-methylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Hydroxy-3-methylbenzoic
EC Number207-890-1
PubChem Substance ID68138
Reaxys-RN2082472
Beilstein Registry Number2082472
Chemical Name Translation3-甲基-4-羟基苯甲酸
InChIKeyLTFHNKUKQYVHDX-UHFFFAOYSA-N
LabNetwork Molecule IDLN00010598
InChIInChI=1S/C8H8O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3,(H,10,11)
Canonical SMILESOC(C1=CC=C(O)C(C)=C1)=O
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分类

  • {SNA} Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

相关文献及参考

  • [1]. Chapman PJ, et al. The bacterial metabolism of 2,4-xylenol. Biochem J. 1968 Dec;110(3):491-8.

安全信息

Warnings IRRITANT
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S36/39 Wear suitable protective clothing and eye/face protection 穿戴适当的防护服和眼睛/面保护；
  • S37 Wear suitable gloves 戴适当手套；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
WGK Germany2
GHS Symbol
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P317
  • P302+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P305+P354+P338
  • P317
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn Xn,Xi
Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°

其他信息

  • 用途一:偶氮染料中间体。
  • MOL 文件:499-76-3.mol
  • 方法一:由邻甲酚经酸甲基化而得。将邻甲酚和50%氢氧化钠水溶液加入反应釜中，用蒸汽处理之后，在160℃以下压入二氧化碳，经蒸馏得粗邻甲酚对甲酸钠，再将其用硫酸中和，精制，最后真空干燥即得成品，收率88%。
  • 上游原料:甲酸钠 --> 邻甲酚 --> 对甲基苯甲酸
  • Sigma Aldrich:499-76-3(sigmaaldrich)
  • Alfa Aesar:4-羟基-3-甲基苯甲酸,97% 4-Hydroxy-3-methylbenzoic acid hydrate, 97%(499-76-3)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids - Carbonyl Compounds
  6. C8 - Carboxylic Acids
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aromatic acids
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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