7-氧杂二环[4.1.0]庚烷-2-酮

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品

7-氧杂二环[4.1.0]庚烷-2-酮 基本信息

中文名称:
7-氧杂二环[4.1.0]庚烷-2-酮 
中文别名:
7-氧杂二环[4.1.0]庚烷-2-酮;
7-氧杂二环[4.1.0]-2-庚酮;
2,3-环氧-1-环己酮 
英文名称:
7-Oxabicyclo[4.1.0]heptan-2-one
英文别名:
Cyclohexanone, 2,3-epoxy-;
2,3-epoxy-2-cyclohexenone;
2,3-Epoxycyclohexan-1-one;
2,3-Epoxycyclohexanone;
2-cyclohexene oxide-1-one;
7-Oxabicyclo[4.1.0]heptan-2-one(6CI,7CI,8CI,9CI);
2,3-Epoxycyclohexane-1-one;
7-OXABICYCLO[4.1.0]HEPTAN-2-ONE;
2,3-Epoxy-1-cyclohexanone;
7-oxobicyclo[4.1.0]heptan-2-one 
CAS No.:
6705-49-3
分 子 式:
C6H8O2
分 子 量:
112.13
精确分子量:
112.05200
PSA:
29.60000
MDL:
MFCD00192371
EINECS:
229-751-4
BRN:
109456
InChI:
InChI=1/C6H8O2/c7-4-2-1-3-5-6(4)8-5/h5-6H,1-3H2/t5-,6+/m1/s1
分子结构式:
SDS:
查看

7-氧杂二环[4.1.0]庚烷-2-酮 物化性质

密度:
1.13 g/mL at 25ºC(lit.)
沸点:
76-78ºC15 mm Hg(lit.)
闪点:
205 °F
折射率:
n20/D 1.474(lit.)
存储条件/存储方法:

密闭,阴凉干燥处保存,确保有良好的通风

稳定性相关:

1.如果遵照规格使用和储存则不会分解,未有已知危险发生。

2.避免强氧化剂。

3. 存在于主流烟气中。

其它信息:

1.       性状:液体

2.       密度(g/mL at 25°C):1.13

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):未确定

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,15mmHg):76-78

7.       折射率(n20/D):1.474

8.       闪点(ºC):96

9.       比旋光度(º):未确定

10.    自燃点或引燃温度(ºC):未确定

11.    蒸气压(mmHg,37ºC):未确定

12.    饱和蒸气压(kPa,114.4 ºC):未确定

13.    燃烧热(KJ/mol):未确定

14.    临界温度(ºC):未确定

15.    临界压力(MPa):未确定

16.    油水(辛醇/水)分配系数的对数值:未确定

17.    爆炸上限(%,V/V):未确定

18.    爆炸下限(%,V/V):未确定

19.    溶解性:未确定

7-氧杂二环[4.1.0]庚烷-2-酮 安全信息

海关代码:
2932999099

7-氧杂二环[4.1.0]庚烷-2-酮 MSDS


Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
    Product name        : 7-Oxabicyclo[4.1.0]heptan-2-one    

Section 2. HAZARDS IDENTIFICATION
  Classification of the substance or mixture
    Not a dangerous substance according to GHS.
    This substance is not classified as dangerous according to Directive 67/548/EEC.
  Label elements
    The product does not need to be labelled in accordance with EC directives or respective national laws.
  Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
    Formula        : C6H8O2    
    Molecular Weight        : 112,13 g/mol    
    CAS-No.        EC-No.        Index-No.        Classification        Concentration    
  7-Oxabicyclo[4.1.0]heptan-2-one
    6705-49-3        229-751-4        -        -        -    

Section 4. FIRST AID MEASURES
  If inhaled
    If breathed in, move person into fresh air. If not breathing, give artificial respiration.
  In case of skin contact
    Wash off with soap and plenty of water.
  In case of eye contact
    Flush eyes with water as a precaution.
  If swallowed
    Never give anything by mouth to an unconscious person. Rinse mouth with water.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing media
    Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
  Special protective equipment for fire-fighters
    Wear self contained breathing apparatus for fire fighting if necessary.

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions
    Avoid breathing vapors, mist or gas.
  Environmental precautions
    Do not let product enter drains.
  Methods and materials for containment and cleaning up
    Keep in suitable, closed containers for disposal.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
    Normal measures for preventive fire protection.
  Conditions for safe storage
    Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully
    resealed and kept upright to prevent leakage. Store in cool place.

Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
  Personal protective equipment
  Respiratory protection
    Respiratory protection not required. For nuisance exposures use type OV/AG (US) or type ABEK (EU EN
    14387) respirator cartridges. Use respirators and components tested and approved under appropriate
    government standards such as NIOSH (US) or CEN (EU).
  Hand protection
    Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique (without
    touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves
    after use in accordance with applicable laws and good laboratory practices. Wash and dry hands.
    The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the
    standard EN 374 derived from it.
  Eye protection
    Use equipment for eye protection tested and approved under appropriate government standards such as
    NIOSH (US) or EN 166(EU).
  Skin and body protection
    impervious clothing, The type of protective equipment must be selected according to the concentration
    and amount of the dangerous substance at the specific workplace.
  Hygiene measures
    General industrial hygiene practice.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Appearance
    Form        liquid    
  Safety data
    pH no data available
    Melting point        no data available    
    Boiling point        76 - 78 °C at 20 hPa - lit.    
    Flash point        96,00 °C - closed cup    
    Ignition temperature        no data available    
    Lower explosion limit        no data available    
    Upper explosion limit        no data available    
    Density        1,13 g/mL at 25 °C    
    Water solubility        no data available    

Section 10. STABILITY AND REACTIVITY
  Chemical stability
    Stable under recommended storage conditions.
  Conditions to avoid
    no data available
  Materials to avoid
    Strong oxidizing agents
  Hazardous decomposition products
    Hazardous decomposition products formed under fire conditions. - Carbon oxides

Section 11. TOXICOLOGICAL INFORMATION
  Acute toxicity
    no data available
  Skin corrosion/irritation
    no data available
  Serious eye damage/eye irritation
    no data available
  Respiratory or skin sensitization
    no data available
  Germ cell mutagenicity
    no data available
  Carcinogenicity
    IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
    probable, possible or confirmed human carcinogen by IARC.
  Reproductive toxicity
    no data available
  Specific target organ toxicity - single exposure
    no data available
  Specific target organ toxicity - repeated exposure
    no data available
  Aspiration hazard
    no data available
  Potential health effects
  Inhalation        May be harmful if inhaled. May cause respiratory tract irritation.    
  Ingestion        May be harmful if swallowed.    
  Skin        May be harmful if absorbed through skin. May cause skin irritation.    
  Eyes        May cause eye irritation.    
  Additional Information
    RTECS: no data available

Section 12. ECOLOGICAL INFORMATION
  Toxicity
    no data available
  Persistence and degradability
    no data available
  Bioaccumulative potential
    no data available
  Mobility in soil
    no data available
  PBT and vPvB assessment
    no data available
  Other adverse effects
    no data available

Section 13. DISPOSAL CONSIDERATIONS
  Product
    Offer surplus and non-recyclable solutions to a licensed disposal company.
  Contaminated packaging
    Dispose of as unused product.

Section 14. TRANSPORT INFORMATION
  ADR/RID
    Not dangerous goods
  IMDG
    Not dangerous goods
  IATA
    Not dangerous goods



SECTION 15 - REGULATORY INFORMATION
N/A


SECTION 16 - ADDITIONAL INFORMATION
N/A

7-氧杂二环[4.1.0]庚烷-2-酮 海关数据

中国海关编码:2932999099

概述:
2932999099. 其他仅含氧杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

7-氧杂二环[4.1.0]庚烷-2-酮 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):0.2

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:0

5.互变异构体数量:3

6.拓扑分子极性表面积29.6

7.重原子数量:8

8.表面电荷:0

9.复杂度:131

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:2

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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