7-Oxabicyclo[4.1.0]heptan-2-one
- 中文别名:7-氧杂二环[4.1.0]庚烷-2-酮
- 中文释义: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
- 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:
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/mLat 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
安全信息
- 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/mLat 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
MSDS
Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product name: 7-Oxabicyclo[4.1.0]heptan-2-one
Section2. 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
Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Formula: C6H8O2
Molecular Weight: 112,13 g/mol
CAS-No.EC-No.Index-No.ClassificationConcentration
7-Oxabicyclo[4.1.0]heptan-2-one
6705-49-3229-751-4---
Section4. 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.
Section5. 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.
Section6. 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.
Section7. 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.
Section8. 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.
Section9. PHYSICAL AND CHEMICAL PROPERTIES
Appearance
Formliquid
Safety data
pH no data available
Melting pointno data available
Boiling point76 - 78 °C at 20 hPa - lit.
Flash point96,00 °C - closed cup
Ignition temperatureno data available
Lower explosion limitno data available
Upper explosion limitno data available
Density1,13 g/mL at 25 °C
Water solubilityno data available
Section10. 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
Section11. 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
InhalationMay be harmful if inhaled. May cause respiratory tract irritation.
IngestionMay be harmful if swallowed.
SkinMay be harmful if absorbed through skin. May cause skin irritation.
EyesMay cause eye irritation.
Additional Information
RTECS: no data available
Section12. 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
Section13. DISPOSAL CONSIDERATIONS
Product
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.
Section14. 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
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%
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