4-Tert-Butylcyclohexanol, Mixture of Isomers 4-叔丁基环己醇(顺反混合)

CAS 98-52-2 MFCD00001473

化学结构图

98-52-2
SMILES: CC(C)(C)c1ccc(O)cc1

化学属性

Mol. FormulaC10H20O
Mol. Weight156.27
Boiling Point214.2°C at 760 mmHg
Melting Point60-69°C
Refractive index1.447
Flash Point105°C
Solubility<1 G/L (20 ºC)
Appearance 白色块状晶体或微细粉末。熔点 60-69°C ,沸点 110-115°C (15 mmHg),折射率 1.447 ,闪点 105°C ,水溶性 <;1 g/L (20°C)
Density2.591

别名和识别编码

Chemical Name4-Tert-Butylcyclohexanol, Mixture of Isomers
MDL NumberMFCD00001473
CAS Number98-52-2
PubChem Substance ID87563429
Beilstein Registry Number6(1)18
EC Number202-676-4
Synonym 4-(tert-Butyl)cyclohexanol {LY} 4-(tert-Butyl)cyclohexanol {} {LY} 4-(tert-Butyl)cyclohexanol {} {} {LY} 4-(tert-Butyl)cyclohexanol {} {} {} {LY} 4-(tert-Butyl)cyclohexanol {} {} {} {} {LY} 4-(tert-Butyl)cyclohexanol {} {} {} {} {} {LY} 4-(tert-Butyl)cyclohexanol {} {} {} {} {} {} {LY} 4-(tert-Butyl)cyclohexanol {} {} {} {} {} {} {} {LY} 4-(tert-Butyl)cyclohexanol {} {} {} {} {} {} {} {} {LY} 4-(tert-Butyl)cyclohexanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(tert-Butyl)cyclohexanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(tert-Butyl)cyclohexanol {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(tert-Butyl)cyclohexanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(tert-Butyl)cyclohexanol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(tert-Butyl)cyclohexanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(tert-Butyl)cyclohexanol {} {} {} {} {} {
Chemical Name Translation4-叔丁基环己醇(顺反混合)
Reaxys-RN1902277
Wiswesser Line NotationL6TJ AX1&1&1 DQ
LabNetwork Molecule IDLN00196736
InChIInChI=1S/C10H20O/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9,11H,4-7H2,1-3H3
Canonical SMILESCC(C)(C)C1CCC(O)CC1
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分类

  • {SNA} Alcohols, Building Blocks, C9 to C10, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds

相关文献及参考

  • Beilstein:6(1)18

安全信息

WGK Germany2
RTECSGV8750000
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
UN Number 3256
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Signal word
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
Precautionary statements
  • 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。
Packing GroupII
GHS Symbol
Risk Statements
Hazard Codes 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 12,833,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 50 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD277-689

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 12,833,1974

其他信息

  • 4-叔丁基环己醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 B0383 4-叔丁基环己醇(顺反异构体混和物) 4-tert-Butylcyclohexanol (cis- and trans- mixture) 500G 572元 2011/04/16 B0383 4-叔丁基环己醇(顺反异构体混和物) 4-tert-Butylcyclohexanol (cis- and trans- mixture) 25G 177元 2010/06/21 107902500 4-叔丁基环己醇 4-tert-Butylcyclohexanol 99%, mixture of isomers 250 GR 335元
  • 类别:有毒物质
  • 毒性分级:中毒
  • MOL 文件:98-52-2.mol
  • 图谱信息:4-叔丁基环己醇(98-52-2)Raman光谱 4-叔丁基环己醇(98-52-2)质谱(MS) 4-叔丁基环己醇(98-52-2)红外图谱(IR1) 4-叔丁基环己醇(98-52-2)红外图谱(IR2)
  • 4-叔丁基环己醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0383 4-叔丁基环己醇(顺反异构体混和物) 4-tert-Butylcyclohexanol (cis- and trans- mixture) 500G 693元 2014/06/02 B0383 4-叔丁基环己醇(顺反异构体混和物) 4-tert-Butylcyclohexanol (cis- and trans- mixture) 25G 215元 2010/06/21 107902500 4-叔丁基环己醇 4-tert-Butylcyclohexanol 99%, mixture of isomers 250 GR 335元
  • Sigma Aldrich:98-52-2(sigmaaldrich)
  • TCI Shanghai:4-叔丁基环己醇(顺反异构体混合物) 4-tert-Butylcyclohexanol (cis- and trans- mixture),>;99.0%(GC)(98-52-2)
  • Acros Organics:4-叔丁基环己醇(顺反混合) 4-tert-Butylcyclohexanol, mixture of isomers, 99%(98-52-2)
  • 急性毒性:口服-大鼠 LD50: 4200 毫克/公斤; 腹腔-小鼠 LD50: 50 毫克/公斤
  • 下游产品:4-叔丁基环己酮 --> 4-叔丁基环己基甲酸
  • 灭火剂:水, 干粉, 二氧化碳, 泡沫
  • 可燃性危险特性:热分解排出辛辣刺激烟雾
  • MSDS 信息:4-tert-Butylcyclohexanol(98-52-2).msds
  • 储运特性:库房低温干燥通风
  • 海关编码:29061900

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. Oxygen Compounds 氧化合物
  5. Alcohols - Oxygen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Alcohols - Oxygen Compounds
  6. C9 to C10 - Alcohols
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Alcohols - Oxygen Compounds
  6. C9 to C10 - Alcohols
  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. Ketones - Carbonyl Compounds
  6. C13 to C14 - Ketones
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Alcohols
  6. C7 to C8

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