2-Hydroxy-3-Isopropyl-6-Methylbenzoic Acid 2-羟基-3-异丙基-6-甲基苯甲酸

CAS 548-51-6 MFCD00020270

化学结构图

548-51-6
SMILES: Cc1ccc(C(C)C)c(O)c1C(=O)O

化学属性

Mol. FormulaHOC6H2[CH(CH3)2](CH3)CO2H
Mol. Weight194.23
Melting Point127-129 °C(lit.)

别名和识别编码

Chemical Name2-Hydroxy-3-Isopropyl-6-Methylbenzoic Acid
CAS Number548-51-6
Alfabeta NameHYDROXYISOPROPYLMETHYLBENZOICACID 236-----
MDL NumberMFCD00020270
Synonym 2-Methyl-5-isopropylsalicyclic acid 2-羟基-3-异丙基-6-甲基苯甲酸 2-Hydroxy-6-methyl-3-(1-methylethyl)benzoic acid 2-Thymolcarboxylic acid o-Thymolcarboxylic acid o-Thymotinic acid o-Thymotic acid 3-异丙基-6-甲基水杨酸 2-Hydroxy-3-isopropyl-6-methylbenzoic acid Benzoic acid, 2-hydroxy-6-methyl-3-(1-methylethyl)- 3-Hydroxy-p-cymene-2-carboxylic acid
PubChem Substance ID11052
EC Number208-949-4
Chemical Name Translation2-羟基-3-异丙基-6-甲基苯甲酸
Wiswesser Line NotationQVR BQ F1 CY1&1
Beilstein Registry Number2578282
LabNetwork Molecule IDLN00164896
InChIInChI=1S/C11H14O3/c1-6(2)8-5-4-7(3)9(10(8)12)11(13)14/h4-6,12H,1-3H3,(H,13,14)
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分类

  • Building Blocks, C11 to C12, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {SNA} Building Blocks, C11 to C12, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

相关文献及参考

  • Merck 14 ,9408
  • Beil. 10 ,280
  • FT-IR 2 (2), 2710:A / FT-NMR 1 (2), 1143:B / RegBook 1 (2), 1819:B / Structure Index 1 , 291:E:3

安全信息

Warnings IRRITANT
WGK Germany3
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。
  • P305+P351+P338
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • 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
Hazard Codes Xi
RTECSGZ6002990
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Signal word Warning
Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
  • 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；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 316 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPMSAE Journal of Pharmaceutical Sciences.  (American Pharmaceutical Assoc.,
   2215 Constitution Ave., NW, Washington, DC 20037)  V.50-    1961-
   Volume(issue)/page/year: 57,989,1968

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 160 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

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. C11 to C12 - Carboxylic Acids

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