3-Methylsalicylic acid 3-甲基水杨酸(2-羟基-3-甲基苯甲酸)

CAS 83-40-9 MFCD00002448

化学结构图

83-40-9
SMILES: Cc1cccc(C(=O)O)c1O

化学属性

Mol. FormulaC8H8O3
Mol. Weight152.15
Melting Point163-165°C
TSCAYes
Solubility1.5 G/L (20 ºC)
Density1.304
Boiling Point234.6 °C at 760 mmHg

别名和识别编码

Chemical Name3-Methylsalicylic acid
CAS Number83-40-9
Alfabeta NameMETHYLSALICYLICACID 3-
MDL NumberMFCD00002448
Synonym 3-Methylsalicylic acid {LY} 3-Methylsalicylic acid {} {LY} 3-Methylsalicylic acid {} {} {LY} 3-Methylsalicylic acid {} {} {} {LY} 3-Methylsalicylic acid {} {} {} {} {LY} 3-Methylsalicylic acid {} {} {} {} {} {LY} 3-Methylsalicylic acid {} {} {} {} {} {} {LY} 3-Methylsalicylic acid {} {} {} {} {} {} {} {LY} 3-Methylsalicylic acid {} {} {} {} {} {} {} {} {LY} 3-Methylsalicylic acid {} {} {} {} {} {} {} {} {} {LY} 3-Methylsalicylic acid {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylsalicylic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylsalicylic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylsalicylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylsalicylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylsalicylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylsalicylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Methylsalicylic acid {} {} {} {} {} {} {} {} {} {
PubChem Substance ID6738
EC Number201-473-8
Beilstein Registry Number2086811
Merck Number2581
Reaxys-RN2086811
Chemical Name Translation3-甲基水杨酸(2-羟基-3-甲基苯甲酸)
Wiswesser Line NotationQVR BQ C1
LabNetwork Molecule IDLN00173783
InChIInChI=1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11)
Canonical SMILESO=C(O)C1=CC=CC(C)=C1O
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分类

  • Aromatics
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; carboxylic acid; alcohol; 1fragment
  • {SNA} Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

产品应用

  • Toxicity is similar to salicylic acid. Used in manufacturing of dyes.

相关文献及参考

  • Short: II/27B
  • Merck: 14,2581 Beilstein:10,220
  • Merck: 14,2581
  • Short: II/27C

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
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
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
RTECSGP3920000
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。
  • 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+P312
  • P301+P312+P330
  • P302+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • 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
  • 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
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘;
  • 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;
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
  • S36/39 Wear suitable protective clothing and eye/face protection 穿戴适当的防护服和眼睛/面保护;
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
Hazard Codes Xn
UN Number 2811
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 445 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BIALAY Biochimica Applicata.  (Parma, Italy)  V.1-19, 1954-72(?).
   Discontinued.  Volume(issue)/page/year: 10,270,1963

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Behavioral - analgesia
REFERENCE :
   APSXAS Acta Pharmaceutica Suecica.  (Apotekarsocieteten-Farmacevtiska
   Foereningen, Box 1136, S-111, 81 Stockholm, Sweden)  V.1-    1964-
   Volume(issue)/page/year: 7,289,1970

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 345 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia,
   Italy)  V.8-43 1953-88 For publisher information, see FRMCE8
   Volume(issue)/page/year: 20,506,1965

TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 1 mmol/L
REFERENCE :
   BCPCA6 Biochemical Pharmacology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.1-    1958-  Volume(issue)/page/year:
   29,1275,1980

Storage condition 2-8°C, protect from light, stored under nitrogen {LY} 2-8°C, protect from light, stored under nitrogen {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light, stored under nitr

其他信息

  • 水中溶解度: 1.5 g/l (20 C),溶于碱液,溶于氯仿、乙醇和乙醚。

系列性分类


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