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28009-80-5生产厂家

28009-80-5价格

28009-80-5

28009-80-5结构式
28009-80-5结构式

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中文名 3-氧化戊二酸二叔丁酯
英文名 ditert-butyl 3-oxopentanedioate
中文别名 1,3-丙酮二羧酸二叔丁酯
二叔丁基1,3-丙酮二羧酸酯
英文别名 3-oxoglutaric acid di(tert-butyl)ester
EINECS 248-775-6
di-tert-butyl 3-oxopentanedioate
MFCD00010184
Di-tert-butyl 3-oxoglutarate
Bis(1,1-dimethylethyl) 3-oxoglutarate
di-tert-butyl 1,3-acetonedicarboxylate
di(t-butyl) 1,3-acetonedicarboxylate
1,3-acetonedicarboxylic acid di(tert-butyl) ester
密度 1.044g/cm3
沸点 304.4ºC at 760mmHg
熔点 58-60ºC(lit.)
分子式 C13H22O5
分子量 258.31100
闪点 127.4ºC
精确质量 258.14700
PSA 69.67000
LogP 2.01910
蒸汽压 0.000876mmHg at 25°C
折射率 1.444
储存条件

密闭于2-8 ºC阴凉干燥环境中

稳定性

遵照规定使用和储存则不会分解。

分子结构

1、 摩尔折射率:65.78

2、 摩尔体积(m3/mol):247.3

3、 等张比容(90.2K):594.0

4、 表面张力(dyne/cm):33.2

5、 介电常数:

6、 偶极距(10 -24cm 3):

7、 极化率:26.07

计算化学

1.疏水参数计算参考值(XlogP):2

2.氢键供体数量:0

3.氢键受体数量:5

4.可旋转化学键数量:8

5.互变异构体数量:5

6.拓扑分子极性表面积69.7

7.重原子数量:18

8.表面电荷:0

9.复杂度:298

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:0

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

更多

1. 性状:无可用

2. 密度(g/mL,25/4℃):无可用

3. 相对蒸汽密度(g/mL,空气=1):无可用

4. 熔点(ºC):58-60

5. 沸点(ºC,常压):无可用

6. 沸点(ºC,5.2kPa):无可用

7. 折射率:无可用

8. 闪点(ºC):无可用

9. 比旋光度(º):无可用

10. 自燃点或引燃温度(ºC):无可用

11. 蒸气压(kPa,25ºC):无可用

12. 饱和蒸气压(kPa,60ºC):无可用

13. 燃烧热(KJ/mol):无可用

14. 临界温度(ºC):无可用

15. 临界压力(KPa):无可用

16. 油水(辛醇/水)分配系数的对数值:无可用

17. 爆炸上限(%,V/V):无可用

18. 爆炸下限(%,V/V):无可用

19. 溶解性:无可用


Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name: Di-tert-butyl 1,3-acetonedicarboxylate
CAS-No.: 28009-80-5
Relevant identified uses of the substance or mixture and uses advised against
Identified uses: Laboratory chemicals, Manufacture of substances



Section2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
Not a hazardous substance or mixture according to EC-directives 67/548/EEC or 1999/45/EC.
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
Substances
Synonyms: Di-tert-butyl 3-oxoglutarate
Formula: C13H22O5
Molecular Weight: 258,31 g/mol

Section4. FIRST AID MEASURES
Description of 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.
Most important symptoms and effects, both acute and delayed
Indication of any immediate medical attention and special treatment needed
no data available

Section5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

Section6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Avoid dust formation. Avoid breathing vapors, mist or gas.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Sweep up and shovel. Keep in suitable, closed containers for disposal.
Reference to other sections
For disposal see section 13.

Section7. HANDLING AND STORAGE
Precautions for safe handling
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end uses
no data available

Section8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
General industrial hygiene practice.
Personal protective equipment
Eye/face protection
Use equipment for eye protection tested and approved under appropriate government standards
such as NIOSH (US) or EN 166(EU).
Skin 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.
Body Protection
Choose body protection in relation to its type, to the concentration and amount of dangerous
substances, and to the specific work-place., The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US) or CEN (EU).

Section9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) AppearanceForm: crystalline
Colour: beige
b) Odourno data available
c) Odour Thresholdno data available
d) pHno data available
e) Melting point/freezingMelting point/range: 58 - 60 °C - lit.
point
f) Initial boiling point and no data available
boiling range
g) Flash pointno data available
h) Evaporation rateno data available
i) Flammability (solid, gas) no data available
j) Upper/lowerno data available
flammability or
explosive limits
k) Vapour pressureno data available
l) Vapour densityno data available
m) Relative densityno data available
n) Water solubilityno data available
o) Partition coefficient: n- no data available
octanol/water
p) Autoignitionno data available
temperature
q) Decompositionno data available
temperature
r) Viscosityno data available
s) Explosive propertiesno data available
t) Oxidizing propertiesno data available
Other safety information
no data available

Section10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

Section11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
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.
IngestionMay be harmful if swallowed.
SkinMay be harmful if absorbed through skin. May cause skin irritation.
EyesMay cause eye irritation.
Additional Information
RTECS: Not 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
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available

Section13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.

Section14. TRANSPORT INFORMATION
UN number
ADR/RID: -IMDG: -IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA:Not dangerous goods
Transport hazard class(es)
ADR/RID: -IMDG: -IATA: -
Packaging group
ADR/RID: -IMDG: -IATA: -
Environmental hazards
ADR/RID: noIMDG Marine pollutant: noIATA: no
Special precautions for user
no data available



SECTION 15 - REGULATORY INFORMATION
N/A


SECTION 16 - ADDITIONAL INFORMATION
N/A

生态学数据:

该物质对环境可能有危害,对水体应给予特别注意。

个人防护装备 Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
危险品运输编码 NONH for all modes of transport
WGK德国 3

~73%

28009-80-5结构式

28009-80-5

文献:Gupta, Ashok K.; Lannoye, Greg S.; Kubiak, Greg; Schkeryantz, Jeff; Wehrli, Suzanne; Cook, James M. Journal of the American Chemical Society, 1989 , vol. 111, # 6 p. 2169 - 2179

~95%

28009-80-5结构式

28009-80-5

文献:Ryu, Youngha; Scott, A. Ian Tetrahedron Letters, 2003 , vol. 44, # 40 p. 7499 - 7502

~26%

28009-80-5结构式

28009-80-5

详细
文献:Ryu, Youngha; Scott, A. Ian Tetrahedron Letters, 2003 , vol. 44, # 40 p. 7499 - 7502

~%

28009-80-5结构式

28009-80-5

文献:Paul,H.; Polczynski,P. Journal fuer Praktische Chemie (Leipzig), 1970 , vol. 312, p. 240 - 244

~%

28009-80-5结构式

28009-80-5

文献:Paul,H.; Polczynski,P. Journal fuer Praktische Chemie (Leipzig), 1970 , vol. 312, p. 240 - 244