Benzeneacetic acid, α-​cyclohexyl-​α-​hydroxy- 苯乙酸，α-环己基-α-羟基-

CAS 4335-77-7 MFCD00194543

化学结构图

4335-77-7
SMILES: O=C(O)C(O)(C1CCCCC1)C1CCCCC1

化学属性

Mol. FormulaC14H18O3
Mol. Weight234.29
Melting Point170-175 °C
Density1.422
Appearance 白色结晶性粉末。熔点165-167℃。
Boiling Point408.6°C at 760 mmHg

别名和识别编码

Chemical NameBenzeneacetic acid, α-​cyclohexyl-​α-​hydroxy-
CAS Number4335-77-7
Alfabeta NameCYCLOHEXYLHYDROXYPHENYLACETICACID ---
MDL NumberMFCD00194543
Synonym 2-Cyclohexyl-2-hydroxy-2-phenylacetic acid {LY} 2-Cyclohexyl-2-hydroxy-2-phenylacetic acid {} {LY} 2-Cyclohexyl-2-hydroxy-2-phenylacetic acid {} {} {LY} 2-Cyclohexyl-2-hydroxy-2-phenylacetic acid {} {} {} {LY} 2-Cyclohexyl-2-hydroxy-2-phenylacetic acid {} {} {} {} {LY} 2-Cyclohexyl-2-hydroxy-2-phenylacetic acid {} {} {} {} {} {LY} 2-Cyclohexyl-2-hydroxy-2-phenylacetic acid {} {} {} {} {} {} {LY} 2-Cyclohexyl-2-hydroxy-2-phenylacetic acid {} {} {} {} {} {} {} {LY} 2-Cyclohexyl-2-hydroxy-2-phenylacetic acid {} {} {} {} {} {} {} {} {LY} 2-Cyclohexyl-2-hydroxy-2-phenylacetic acid {} {} {} {} {} {} {} {} {} {LY} 2-Cyclohexyl-2-hydroxy-2-phenylacetic acid {} {} {} {} {} {} {} {} {} {} {LY} 2-Cyclohexyl-2-hydroxy-2-phenylacetic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Cyclohexyl-2-hydroxy-2-phenylacetic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Cyclohexyl-2-hydroxy-2-phenylacetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Cyclohexyl-2-hydroxy-2-phenylace
EC Number224-380-4
Beilstein Registry Number751439
Reaxys-RN751439
PubChem Substance ID97700
Chemical Name Translation苯乙酸，α-环己基-α-羟基-
LabNetwork Molecule IDLN00120570
InChIInChI=1S/C14H18O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12,17H,2,5-6,9-10H2,(H,15,16)
Canonical SMILESC1=CC=C(C=C1)C(C2CCCCC2)(C(=O)O)O
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分类

  • Aromatics
  • {SNA} Building Blocks, C13 to C42+, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

相关文献及参考

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Precautionary statements
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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
  • 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。
  • P332+P313
  • 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。
  • P302+P350
  • P302+P352+P332+P313+P362+P364
Hazard statements
  • 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
  • H303 May be harmfully swallowed 吞食可能有害
RTECSGV2770000
Signal word
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
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；
  • S36/37/39 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；
Hazard Codes Xi
Risk Statements 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 420 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 116,154,1958

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 245 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - excitement
   Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
   KSRNAM Kiso to Rinsho.  Clinical Report.  (Yubunsha Co., Ltd., 1-5, Kanda
   Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan)  V.1-    1960-
   Volume(issue)/page/year: 19,5182,1985

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 524 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
   KSRNAM Kiso to Rinsho.  Clinical Report.  (Yubunsha Co., Ltd., 1-5, Kanda
   Suda-Cho, Chiyoda-ku

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 708 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
   KSRNAM Kiso to Rinsho.  Clinical Report.  (Yubunsha Co

Storage condition

其他信息

  • 2-环己基-2-羟基苯乙酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C2393 α-环己基-DL-扁桃酸 alpha-Cyclohexyl-DL-mandelic Acid 5G 872元 2014/06/02 C2393 α-环己基-DL-扁桃酸 alpha-Cyclohexyl-DL-mandelic Acid 25G 2970元
  • MOL 文件:4335-77-7.mol
  • 2-环己基-2-羟基苯乙酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 C2393 α-环己基-DL-扁桃酸 alpha-Cyclohexyl-DL-mandelic Acid 5G 720元 2011/04/16 C2393 α-环己基-DL-扁桃酸 alpha-Cyclohexyl-DL-mandelic Acid 25G 2450元
  • Sigma Aldrich:4335-77-7(sigmaaldrich)

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. C13 to C42+ - Carboxylic Acids

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