39207-65-3 (2-(2-甲基-1-氧代丙烷)环己酮,2-(2-methylpropanoyl)cyclohexan-1-one)

CAS号:
39207-65-3
中文名称:
2-(2-甲基-1-氧代丙烷)环己酮
英文名称:
2-(2-methylpropanoyl)cyclohexan-1-one
安全信息:
分子式:
C10H16O2
分子量:
168.232843399048

2-(2-甲基-1-氧代丙烷)环己酮(39207-65-3)名称与标识符

名称

中文别名:
2-(2-甲基-1-氧代丙烷)环己酮;2-异丁酰环己酮;2-异丁酰基环己酮;
英文别名:
2-Isobutyrylcyclohexanone;2-(2-methylpropanoyl)cyclohexan-1-one;2-Isobutyrylcyclohexan-1-one;Cyclohexanone, 2-(2-methyl-1-oxopropyl)-;2-(2-Methylpropanoyl)cyclohexanone;2-(2-Methyl-1-oxopropyl)cyclohexanone;2-Isobutyryl-cyclohexanone;PubChem12112;2-isobutyryl cyclohexanone;EBD4162;PFOYYSGBGILOQZ-UHFFFAOYSA-N;STR08161;SC11822;TRA0169659;VZ34715;R699;ST2410064;A;ST24;BP-21288;MFCD00466185;SCHEMBL900888;AMY20641;CS-W007715;F10360;AKOS012624058;2-Isobutyrylcyclohexanone, 96% (~96% enol form);FT-0604235;SY023200;3-(4-Phenoxyphenyl)propionicacid;EN300-1126796;2-Isobutyrylcyclohexanone, 96%;A6569;I1131;39207-65-3;DTXSID90466818;DB-024412;2-(2-Methyl-1-oxopropyl)cyclohexanone; 2-(2-Methylpropanoyl)cyclohexan-1-one; 2-(2-Methylpropanoyl)cyclohexanone;2-Isobutyrylcyclohexanone (total of isomers);

标识符

MDL:
MFCD00466185
InChIKey:
PFOYYSGBGILOQZ-UHFFFAOYSA-N
Inchi:
1S/C10H16O2/c1-7(2)10(12)8-5-3-4-6-9(8)11/h7-8H,3-6H2,1-2H3
SMILES:
O=C1CCCCC1C(C(C)C)=O

2-(2-甲基-1-氧代丙烷)环己酮(39207-65-3)物化性质

实验特性

  • LogP : 1.97080
  • PSA : 34.14000
  • 折射率 : n20/D 1.5006
  • 沸点 : 266 ºC
  • 熔点 : 38°C
  • 闪点 : 华氏:219.2 °F
    摄氏:104 °C
  • 颜色与性状 : 无可用
  • 溶解性 : 无可用
  • 密度 : 1.0076 g/mL at 25 °C

计算特性

  • 精确分子量 : 168.11500
  • 氢键供体数量 : 0
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 2
  • 同位素质量 : 168.115029749g/mol
  • 重原子数量 : 12
  • 复杂度 : 194
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 1.9
  • 互变异构体数量 : 8
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 34.1

2-(2-甲基-1-氧代丙烷)环己酮(39207-65-3)海关数据

海关编码:
2914299000
海关数据:

中国海关编码:

2914299000

概述:

2914299000. 其他不含其他含氧基的环烷酮、环烯酮或环萜烯酮. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%

申报要素:

品名, 成分含量, 用途, 丙酮报明包装

Summary:

2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

2-(2-甲基-1-氧代丙烷)环己酮(39207-65-3)推荐厂家 更多厂家(25)

2-(2-甲基-1-氧代丙烷)环己酮(39207-65-3)参考资料

Beilstein:
MFCD00466185
PubChem CID:

2-(2-甲基-1-氧代丙烷)环己酮(39207-65-3) MSDS

基础信息


Section 1: Product Identification
   Chemical Name:       2-Isobutyrylcyclohexanone, 96% (~96% enol form)    
   CAS Registry Number:       39207-65-3    
   Formula:       C10H16O2    
   EINECS Number:       none    
   Chemical Family:       organic compound    
   Synonym:       none    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title compound       39207-65-3       100%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to skin, eyes and respiratory tract.    
   Primary Routes of Exposure:       Ingestion, inhalation    
   Eye Contact:       Causes slight to mild irritation of the eyes.    
   Skin Contact:       Causes slight to mild irritation of the skin.    
   Inhalation:       Irritating to the nose, mucous membranes and respiratory tract.    
   Ingestion:       No information available on the physiological effects of ingestion. May be harmful if swallowed.    
   Acute Health Affects:       Irritating to skin, eyes and respiratory tract.    
   Chronic Health Affects:       No information on long-term chronic effects.    
   NTP:       No    
   IARC:       No    
   OSHA:       No    

SECTION 4: First Aid Measures
   Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
   Eye Exposure:
   assistance in keeping their eye lids open. Get immediate medical attention.
   Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if
   Skin Exposure:
   irritation persists.
   Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
   Inhalation:
   in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
   Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
   Ingestion:
   vomiting only if directed by medical personnel.

SECTION 5: Fire Fighting Measures
   Flash Point:       219.2°F    
   Autoignition Temperature:       no data    
   Explosion Limits:       no data    
   Extinguishing Medium:       carbon dioxide, dry powder or foam    
   If this product is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure
   Special Fire Fighting Procedures:
   self-contained breathing apparatus and full protective clothing.
   Hazardous Combustion and       If involved in a fire this material may emit irritating fumes.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

SECTION 6: Accidental Release Measures
   Spill and Leak Procedures:       Small spills can be mixed with vermiculite or sodium carbonate and swept up.    

SECTION 7: Handling and Storage
   Handling and Storage:       Store in a tightly sealed container. Keep in a cool, dry, well ventilated place.    

SECTION 8: Exposure Controls and Personal Protection
   Eye Protection:       Always wear approved safety glasses when handling a chemical substance in the laboratory.    
   Skin Protection:       Wear protective clothing and gloves.    
   Ventilation:       Handle the material in an efficient fume hood.    
   If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
   Respirator:
   Protection Program to be in compliance with 29 CFR 1910.134.
   Ventilation:       Handle the material in an efficient fume hood.    
   Additional Protection:       No additional protection required.    

SECTION 9: Physical and Chemical Properties
   Color and Form:       colorless liquid    
   Molecular Weight:       168.23    
   Melting Point:       38°    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       not determined    
   Solubility in Water:       insoluble    

SECTION 10: Stability and Reactivity
   Stability:       air and moisture stable    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       none    
   Incompatibility:       oxidizing agents    
   Decomposition Products:       carbon monoxide, carbon dioxide, organic fumes    

SECTION 11: Toxicological Information
   RTECS Data:       No information available in the RTECS files.    
   Carcinogenic Effects:       no data    
   Mutagenic Effects:       no data    
   Tetratogenic Effects:       no data    

SECTION 12: Ecological Information
   Ecological Information:       No information available    

SECTION 13: Disposal Considerations
   Disposal:       Dispose of according to local, state and federal regulations.    

SECTION 14: Transportation
   Shipping Name (CFR):       Non-hazardous    
   Hazard Class (CFR):       NA    
   Additional Hazard Class (CFR):       NA    
   Packaging Group (CFR):       NA    
   UN ID Number (CFR):       NA    
   Shipping Name (IATA):       Non-hazardous    
   Hazard Class (IATA):       NA    
   Additional Hazard Class (IATA):       NA    
   Packaging Group (IATA):       NA    
   UN ID Number (IATA):       NA    

SECTION 15: Regulatory Information
   TSCA:       Not listed in the TSCA inventory    
   SARA (Title 313):       Title compound not listed    
   Second Ingredient:       none    


SECTION 16 - ADDITIONAL INFORMATION
N/A