(3,3-二乙氧基丙基)磷酸二乙酯

(3,3-二乙氧基丙基)磷酸二乙酯 基本信息
CAS号 15110-17-5 分子式 C11H25O5P
分子量 268.28700 精确质量  268.14400
PSA  63.80000 LogP  3.04170

基本信息 展开↓

CAS号:
15110-17-5
3D弹球模型:
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分子式:
C11H25O5P
分子量:
268.28700
中文名称:
(3,3-二乙氧基丙基)磷酸二乙酯
英文名称:
Diethyl (3,3-diethoxypropyl)phosphonate
中文别名:
(3,3-二乙氧基丙基)磷酸二乙酯;
(3,3-二乙氧基丙基)磷酸二乙酯, 含稳定剂: 1% NA2CO3
英文别名:
Diethyl (3,3-diethoxypropyl)phosphonate;
3-diethoxyphosphoryl-1,1-diethoxypropane
精确分子量/精确质量:
268.14400
极性分子表面积/PSA:
63.80000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: WKPXMGJOGYEGNW-UHFFFAOYSA-N

物化性质展开↓

外观与性状:
透明淡黄色至橙色液体
密度:
1.031g/cm3
沸点:
98-100ºC
闪点:
170.2ºC
折射率:
1.429-1.432
蒸汽压:
0.000239mmHg at 25°C
其它信息:

1. 性状:未确定

2. 密度(g/mL,25/4):未确定

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):98-100

6. 沸点(ºC,5.2kPa): 未确定

7. 折射率: 1.429-1.432

8. 闪点(ºC): 未确定

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(kPa,25ºC): 未确定

12. 饱和蒸气压(kPa,60ºC): 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(KPa): 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

安全信息展开↓

海关代码:
2931900090
危险类别码:
R36/37/38
安全说明:
S26-S37-S39
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
:
危险标志:
Xi

合成路线查看所有的合成路线

  • 35573-93-4

    3-氯-1,1-二乙氧基丙烷

  • +

  • 122-52-1

    亚磷酸三乙酯

  • ~83%

  • 15110-17-5

    (3,3-二乙氧基丙基)磷酸二乙酯

  • 59067-07-1

    2-(溴甲基)-3,3-二乙氧基丙醛

  • +

  • 122-52-1

    亚磷酸三乙酯

  • ~65%

  • 15110-17-5

    (3,3-二乙氧基丙基)磷酸二乙酯

  • 35573-93-4

    3-氯-1,1-二乙氧基丙烷

  • +

  • 2303-76-6

    diethyl sodium phosphite

  • 15110-17-5

    (3,3-二乙氧基丙基)磷酸二乙酯

MSDS 展开↓

Name: Diethyl (3 3-Diethoxypropyl)Phosphonate Material Safety Data Sheet
Synonym: None Known
CAS: 15110-17-5
Section 1 - Chemical Product   MSDS Name:Diethyl (3 3-Diethoxypropyl)Phosphonate Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
15110-17-5 Diethyl (3,3-Diethoxypropyl)Phosphonat 95.0 unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 15110-17-5: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Clear liquid
Color: yellow to brown - orange-yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 98-100 deg C@ 0.07mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C11H25O5P
Molecular Weight: 268.1458

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 15110-17-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Diethyl (3,3-Diethoxypropyl)Phosphonate - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
 

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 15110-17-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 15110-17-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 15110-17-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2931900090

概述:
2931900090. 其他有机-无机化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:6.5%. 普通关税:30.0%
摘要/Summary:
2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据


五、分子性质数据:

1、   摩尔折射率:66.82

2、   摩尔体积(m3/mol):260.0

3、   等张比容(90.2K):617.9

4、   表面张力(dyne/cm):31.8

5、   极化率10-24cm3):26.49

计算化学数据


1.疏水参数计算参考值(XlogP):1.2

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:11

5.互变异构体数量:无

6.拓扑分子极性表面积54

7.重原子数量:17

8.表面电荷:0

9.复杂度:206

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

上下游相关产品

上游产品

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  • 59067-07-1

    2-(溴甲基)-3,3-二乙氧基丙醛

  • 122-52-1

    亚磷酸三乙酯

  • 35573-93-4

    3-氯-1,1-二乙氧基丙烷

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下游产品

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  • 3986-95-6

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