Cyclohexanecarboxylic acid 环己基甲酸

CAS 98-89-5 MFCD00001461

化学结构图

98-89-5
SMILES: O=C(O)c1ccccc1

化学属性

Mol. FormulaC7H12O2
Mol. Weight128.17
Density1.033
Refractive indexn20/D 1.461(lit.)
Boiling Point232-233°C at 760 mmHg
Melting Point29-31°C
Flash Point110°C
TSCAYes
Solubility微溶于水，溶于多数有机溶剂。
Appearance 无色片状或柱状结晶。熔点28-30℃，沸点232.5℃，120-121℃（1.7kPa），相对密度1.0481（15/4℃），折射率1.4530。溶于多数有机溶剂，15℃时在水中溶解度为0.201g/100g。

别名和识别编码

Chemical NameCyclohexanecarboxylic acid
CAS Number98-89-5
Alfabeta NameCYCLOHEXANECARBOXYLICACID
MDL NumberMFCD00001461
EC Number202-711-3
Beilstein Registry Number970529
Synonym Cyclohexanecarboxylic acid {LY} Cyclohexanecarboxylic acid {} {LY} Cyclohexanecarboxylic acid {} {} {LY} Cyclohexanecarboxylic acid {} {} {} {LY} Cyclohexanecarboxylic acid {} {} {} {} {LY} Cyclohexanecarboxylic acid {} {} {} {} {} {LY} Cyclohexanecarboxylic acid {} {} {} {} {} {} {LY} Cyclohexanecarboxylic acid {} {} {} {} {} {} {} {LY} Cyclohexanecarboxylic acid {} {} {} {} {} {} {} {} {LY} Cyclohexanecarboxylic acid {} {} {} {} {} {} {} {} {} {LY} Cyclohexanecarboxylic acid {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} Cyclohexanecarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {LY} Cyclohexanecarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cyclohexanecarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cyclohexanecarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cyclohexanecarboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID7413
Merck Number2724
Chemical Name Translation环己基甲酸
Reaxys-RN970529
Wiswesser Line NotationL6TJ AVQ
LabNetwork Molecule IDLN00175706
InChIInChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)
Canonical SMILESO=C(C1CCCCC1)O
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分类

  • {SNA} Building Blocks, C7, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {SNA} A-D, Alphabetical Listings,
  • {SA} Building Blocks, C7, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {SNA} A-D,

产品应用

  • 气相色谱固定液(最高使用温度100℃，溶剂为乙醚)，硫化橡胶增溶剂，矿油(油石油)澄清剂。

相关文献及参考

  • Merck: 14,2724
  • Merck: 14,2724 Beilstein:9,7
  • [1]. Liu MJ, et al. Pharmacokinetics and pharmacodynamics of valproate analogues in rats. IV. Anticonvulsant action and neurotoxicity of octanoic acid, cyclohexanecarboxylic acid, and 1-methyl-1-cyclohexanecarboxylic acid. Epilepsia. 1994 Jan-Feb;35(1):234-43.

安全信息

Warnings IRRITANT
Signal word Danger
GHS Symbol
WGK Germany2
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；
  • S37 Wear suitable gloves 戴适当手套；
Risk Statements
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • 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。
  • 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
  • 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
  • P337+P313
  • P305+P351+P338+P337+P313
  • 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
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSGU8370000
Hazard Codes Xi
Storage condition 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°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3265 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   DCTODJ Drug and Chemical Toxicology.  (Marcel Dekker, 270 Madison Ave., New
   York, NY 10016) V.1-    1977/78-  Volume(issue)/page/year: 3,249,1980

其他信息

  • 用途三:气相色谱固定液(最高使用温度100℃，溶剂为乙醚)，硫化橡胶增溶剂，矿油(油石油)澄清剂。
  • 图谱信息:环己基乙酸(5292-21-7)Raman光谱 环己基乙酸(5292-21-7)红外图谱(IR1) 环己基乙酸(5292-21-7)质谱(MS) 环己基乙酸(5292-21-7)红外图谱(IR2) 环己基乙酸(5292-21-7)核磁图( 13 CNMR) 环己基乙酸(5292-21-7)红外图谱(IR3)
  • 无气味，但液化或在溶液中时有缬草气味。易溶于氯仿、乙醇等多数有机溶剂。 15℃时在水中溶解度为0.201克/100克。
  • Sigma Aldrich:5292-21-7(sigmaaldrich)
  • FEMA:3531
  • Hazard Note:Irritant
  • 下游产品:1,6-己内酰胺 --> 环己甲酰氯 --> 环吡酮胺 --> 盐酸贝奈克酯
  • MOL 文件:98-89-5.mol
  • Alfa Aesar:环己基甲酸,98% Cyclohexanecarboxylic acid, 98%(98-89-5)
  • FEMA:2347
  • 用途一:用于合成医药、农药、染料及其他有机化合物
  • 外观性质:白色针状结晶固体。
  • MOL 文件:5292-21-7.mol
  • TCI Shanghai:环己基乙酸 Cyclohexylacetic Acid,>;98.0%(GC)(T)(5292-21-7)
  • 下游产品:乙酸甲酯环己酯 --> 环己基乙酸烯丙酯
  • Sigma Aldrich:98-89-5(sigmaaldrich)
  • 环己基乙酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0589 环己基乙酸 Cyclohexylacetic Acid 250G 5020元 2014/06/02 C0589 环己基乙酸 Cyclohexylacetic Acid 25G 787元 2010/06/21 111270050 环己基乙酸 Cyclohexylacetic acid 98+% 5 GR 405元
  • Acros Organics:环已羧酸 Cyclohexanecarboxylic acid, 98+%(98-89-5)
  • 方法一:1.由苯甲酸催化氢化而得。2.由环己醇经氯化、羧化而得。
  • Acros Organics:环己基乙酸 Cyclohexylacetic acid, 99%(5292-21-7)
  • 环己甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010261 环己基甲酸 100g 98元 2011/04/16 C0470 环己甲酸 Cyclohexanecarboxylic Acid 25G 158元 2011/04/16 C0470 环己甲酸 Cyclohexanecarboxylic Acid 500G 665元
  • MSDS 信息:环己乙酸(5292-21-7).msds
  • 上游原料:氢 --> 环己醇 --> 苯甲酸钠
  • TCI Shanghai:环己甲酸 Cyclohexanecarboxylic Acid,>;95.0%(GC)(98-89-5)
  • 图谱信息:环己甲酸(98-89-5)Raman光谱 环己甲酸(98-89-5)红外图谱(IR2) 环己甲酸(98-89-5)红外图谱(IR1) 环己甲酸(98-89-5)核磁图( 13 CNMR) 环己甲酸(98-89-5)红外图谱(IR3) 环己甲酸(98-89-5)核磁图( 1 HNMR) 环己甲酸(98-89-5)质谱(MS)
  • 用途二:有机合成原料，可用于合成抗孕392药物和治疗血吸虫新药吡喹酮药物等；还可用作硫化橡胶增容剂、石油澄清剂。

系列性分类

  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Organic Acids - Synthetic Reagents
  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Kosher Certified Products - Flavors and Fragrances
  4. A-D - Kosher Certified Products
  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. C-D - Alphabetical Listings
  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
  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. Carboxylic Acids - Carbonyl Compounds
  6. C7 - 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. 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
  6. C6
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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