Methyl cyclohexanecarboxylate 环己烷羧酸甲酯

CAS 4630-82-4 MFCD00001458

化学结构图

4630-82-4
SMILES: COC(=O)C1CCCCC1

化学属性

Mol. FormulaC8H14O2
Mol. Weight142.20
Density0.995
Refractive index1.4430 to 1.4450
Boiling Point183
Flash Point60°C(lit.)
SolubilityALMOST 不溶
Appearance 无色透明液体。能溶于甲醇、乙醇、氯仿等有机溶剂。沸点183℃，折光率nD201.4430，相对密度d4200.995，闪点60℃。
Danger-Level乙类

别名和识别编码

Chemical NameMethyl cyclohexanecarboxylate
CAS Number4630-82-4
Alfabeta NameMETHYLCYCLOHEXANECARBOXYLATE
MDL NumberMFCD00001458
Synonym CYCLOHEXANECARBOXYLIC ACID METHYL ESTER Cyclohexancarbonsäuremethylester Cyclohexanecarboxylic acid, methyl ester Cyclohexanecarboxylicacid,methylester(6CI,7CI,8CI,9CI) FEMA 3568 Hexahydrobenzoic acid methyl ester METHYL CHCLOHEXANE CARBOXYLATE METHYL CYCLOHEXANCARBOXYLATE METHYL CYCLOHEXANECARBOXYLATE METHYL CYCLOHEXANECARBOXYLATE 98+% Methyl cyclohexanecarboxylate Methyl cyclohexanoate Methyl cyclohexylcarboxylate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {Chemicalbook} hexahydrobenzoicac {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {uni_hamburg} cyclohexanecarboxylic acid methyl ester
EC Number225-050-2
Beilstein Registry Number9(3)16
PubChem Substance ID20748
Chemical Name Translation环己烷羧酸甲酯
Reaxys-RN1306359
Wiswesser Line NotationL6TJ AVO1
LabNetwork Molecule IDLN00173531
InChIInChI=1S/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h7H,2-6H2,1H3
Canonical SMILESO=C(C1CCCCC1)OC
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分类

  • {SNA} Alphabetical Listings, Flavors and Fragrances, M-N
  • {SA} Building Blocks, C8 to C9, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; alicycle; 6RingOnly; 6ring; ester; 1fragment
  • {SNA} Building Blocks, C8 to C9, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

相关文献及参考

  • 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
  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.
  • Short: IV/6 Title: Static Dielectric Constants of Pure Liquids and Binary Liquid Mixtures Author: Wohlfarth, Ch. Editor: Madelung, O. Source: Landolt-Börnstein, New Series Volume: IV/6 Year: 1991 Keyword: organic compounds; dielectric constant; liquids; mixtures ISBN: 3-540-54417-8 ISBN: 978-3-540-54417-3 Internet Resource: DOI:10.1007/b44266 RefComment: VIII, 521 pages.

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany2
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
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
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。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P241+P242+P243
  • P242 Use only non-sparking tools. 只能使用无火花工具。
  • P243 Take precautionary measures against static discharge. 采取预防措施，防止静电放电。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • 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。
  • P303+P361+P353
  • 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。
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
Personal Protective Equipment Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) Eyeshields, Gloves, half-mask respirator (EU), half-mask respirator (US), multi-purpose combination respirator cartridge (US)
RTECSGU8599000
UN Number 3272 UN 3272 3/PG 3
Packing GroupIII
Hazard Class3 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3881 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

Storage condition Store at room temperature

其他信息

  • Acros Organics:环己烷羧酸甲酯 Methyl cyclohexanecarboxylate, 98%(4630-82-4)
  • FEMA:3568
  • TCI Shanghai:环己基羧酸甲酯 Methyl Cyclohexanecarboxylate,>;98.0%(GC)(4630-82-4)
  • Sigma Aldrich:4630-82-4(sigmaaldrich)
  • 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该种添加剂的食品中文名称 添加剂功能 最大允许使用量（g/kg） 最大允许残留量（g/kg） 环己基羧酸甲酯 食品 食品用香料 用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
  • 用途一:用作有机合成中间体
  • 环己甲酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0471 环己基羧酸甲酯 Methyl Cyclohexanecarboxylate 500ML 1500元 2014/06/02 C0471 环己基羧酸甲酯 Methyl Cyclohexanecarboxylate 25ML 206元 2010/06/21 188820500 环己甲酸甲酯 Methyl cyclohexanecarboxylate 98% 50 GR 1602元
  • MOL 文件:4630-82-4.mol
  • MSDS 信息:Methyl cyclohexanecarboxylate(4630-82-4).msds

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. M-N - 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. Esters - 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. Esters - Carbonyl Compounds
  6. C8 to C9 - Esters
  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. Esters - Carbonyl Compounds
  6. C8 to C9 - Esters
  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. Esters
  6. C6 to C7
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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