3,3,5-Trimethylcyclohexanol 3,3,5-三甲基环己醇

CAS 116-02-9 MFCD00019378

化学结构图

116-02-9
SMILES: CC1CC(O)CC(C)(C)C1

化学属性

Mol. FormulaC9H18O
Mol. Weight142.24
Flash Point74°C(lit.)
Melting Point30-32 °C
Boiling Point187.7°C at 760 mmHg
Density0.817
Solubility1.8 G/L (20 ºC)
Appearance 无色液体。沸点67-68℃/333Pa，相对密度0.817，折光率1.4215，闪点46℃ ，有毒性及刺激性，有多种异构体。
Refractive index1.4215

别名和识别编码

Chemical Name3,3,5-Trimethylcyclohexanol
Synonym 3,3,5-Trimethylcyclohexanol {LY} 3,3,5-Trimethylcyclohexanol {} {LY} 3,3,5-Trimethylcyclohexanol {} {} {LY} 3,3,5-Trimethylcyclohexanol {} {} {} {LY} 3,3,5-Trimethylcyclohexanol {} {} {} {} {LY} 3,3,5-Trimethylcyclohexanol {} {} {} {} {} {LY} 3,3,5-Trimethylcyclohexanol {} {} {} {} {} {} {LY} 3,3,5-Trimethylcyclohexanol {} {} {} {} {} {} {} {LY} 3,3,5-Trimethylcyclohexanol {} {} {} {} {} {} {} {} {LY} 3,3,5-Trimethylcyclohexanol {} {} {} {} {} {} {} {} {} {LY} 3,3,5-Trimethylcyclohexanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,3,5-Trimethylcyclohexanol {} {} {} {} {} {} {} {} {} {} {} {LY} 3,3,5-Trimethylcyclohexanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,3,5-Trimethylcyclohexanol {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,3,5-Trimethylcyclohexanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,3,5-Trimethyl
MDL NumberMFCD00019378
CAS Number116-02-9
EC Number204-122-7
Reaxys-RN3193947
Beilstein Registry Number6(3)115
PubChem Substance ID8298
Chemical Name Translation3,3,5-三甲基环己醇
Wiswesser Line NotationL6TJ A1 A1 CQ E1
LabNetwork Molecule IDLN00222195
InChIInChI=1S/C9H18O/c1-7-4-8(10)6-9(2,3)5-7/h7-8,10H,4-6H2,1-3H3
Canonical SMILESCC1CC(CC(C)(C)C1)O
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分类

  • {uni_hamburg} no charge; carbocycle; alicycle; 6RingOnly; 6ring; alcohol; 1fragment

产品应用

  • 环扁桃酯的中间体。

相关文献及参考

  • Short: IV/20B Title: Vapor Pressure and Antoine Coefficients for Oxygen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20B Year: 2000 Keyword: organic compounds; vapor pressure ISBN: 3-540-64968-9 ISBN: 978-3-540-64968-7 Internet Resource: DOI:10.1007/b71424 RefComment: VII, 320 pages.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

Hazard Codes Xi
Safety Statements
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置；
  • 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 Irritating to eyes 刺激眼睛
RTECSGW0875000
Signal word
Hazard statements
  • H227 Combustible liquid 可燃液体
  • H303+H313
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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。
  • P302+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P310
  • 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）。
  • P332+P313
  • P337+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
  • P370+P378
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
GHS Symbol 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3250 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31, 1936-49.  For publisher information, see AEHLAU.
   Volume(issue)/page/year: 31,60,1949

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 2800 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31, 1936-49.  For publisher information, see AEHLAU.
   Volume(issue)/page/year: 31,60,1949

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 上游原料:4-甲基-1-环己烯
  • 用途二:环扁桃酯的中间体。
  • 沸点：67-68℃ 闪点：46℃ 密度：0.817 折光率：1.4215
  • 3,3,5-三甲基环己醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 T2693 3,3,5-三甲基环己醇(含约10%反-异构体) cis-3,3,5-Trimethylcyclohexanol (contains ca. 10% trans- isomer) 500G 1900元 2011/04/16 T2693 3,3,5-三甲基环己醇(含约10%反-异构体) cis-3,3,5-Trimethylcyclohexanol (contains ca. 10% trans- isomer) 25G 252元 2011/04/16 T0472 3,3,5-三甲基环已醇(顺反异构体混和物) 3,3,5-Trimethylcyclohexanol (cis- and trans- mixture) 500G 1410元
  • 沸点：67-68℃
  • TCI Shanghai:3,3,5-三甲基环已醇(顺反异构体混合物) 3,3,5-Trimethylcyclohexanol (cis- and trans- mixture),>;90.0%(GC)(116-02-9)
  • Sigma Aldrich:116-02-9(sigmaaldrich)
  • 用途一:是合成环扁桃酸酯的中间体，也是合成新型增塑剂、润滑剂、二腈、二胺和醇的中间体
  • 3,3,5-三甲基环己醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0472 3,3,5-三甲基环已醇(顺反异构体混和物) 3,3,5-Trimethylcyclohexanol (cis- and trans- mixture) 25G 264元 2014/06/02 T2693 3,3,5-三甲基环己醇(含约10%反-异构体) cis-3,3,5-Trimethylcyclohexanol (contains ca. 10% trans- isomer) 500G 2090元 2014/06/02 T2693 3,3,5-三甲基环己醇(含约10%反-异构体) cis-3,3,5-Trimethylcyclohexanol (contains ca. 10% trans- isomer) 25G 306元
  • MOL 文件:116-02-9.mol
  • 图谱信息:3,3,5-三甲基环己醇(116-02-9)红外图谱(IR1) 3,3,5-三甲基环己醇(116-02-9)质谱(MS) 3,3,5-三甲基环己醇(116-02-9)Raman光谱
  • 方法一:用1,5,5-三甲基环己烯-3-酮经还原制得。
  • FEMA:3962

系列性分类

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