2-乙基己基磷酸酯

2-乙基己基磷酸酯 基本信息
CAS号 12645-31-7 分子式 C24H54O8P2
分子量 532.62800 精确质量 　532.32900
PSA 　142.14000 LogP 　7.86490
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目录
基本信息 制备方法与用途 物化性质 安全信息 MSDS 海关数据 结构与计算数据

基本信息 展开↓

CAS号：
12645-31-7
分子式：
C24H54O8P2
分子量：
532.62800
中文名称：
2-乙基己基磷酸酯
英文名称：
Phosphoric Acid 2-Ethylhexyl Ester
中文别名：
2-乙基己基磷酸酯;
稀土萃取剂P507;
辛基磷酸酯;
磷酸-2-乙基己基酯
英文别名：
Phosphoric Acid 2-Ethylhexyl Ester;
PHOSPHORIC ACID 2-ETHYLHEXYL ESTER;
Octyl Phosphate (Mono- and Di- Ester mixture);
Phosphoric Acid Octyl Ester (Mono- and Di- Ester mixture);
2-Ethylhexyl Phosphate (Mono- and Di- Ester Mixture)
精确分子量/精确质量：
532.32900
极性分子表面积/PSA：
142.14000
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。
EINECS：
235-741-0
InChI：
InChI=1/C16H35O4P.C8H19O4P/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;1-3-5-6-8(4-2)7-12-13(9,10)11/h15-16H,5-14H2,1-4H3,(H,17,18);8H,3-7H2,1-2H3,(H2,9,10,11)

生产制备方法及用途展开↓

制备方法

用作塑料增塑剂，还可作稀土金属萃取剂等。

用途简介

用途

用于稀土、钴、镍及其他金属的分离

用作塑料增塑剂，还可作稀土金属萃取剂等

物化性质展开↓

密度：
1,01 g/cm3
沸点：
321.8ºC at 760mmHg
闪点：
148.4ºC
其它信息：

1.       性状：未确定

2.       密度（g/mL,25℃）：1.01

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，0.05mmHg）：未确定

7.       折射率：未确定

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（20ºC）：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↓

包装等级：
III
风险类别：
8
海关代码：
2919900090
危险类别码：
R34
安全说明：
S26-S36/37/39-S45

MSDS 展开↓

  2-Ethylhexyl Phosphate (Mono- and Di- Ester mixture) Revision number: 6
  SAFETY DATA SHEET
Section 1. IDENTIFICATION
  Product name:        2-Ethylhexyl Phosphate (Mono- and Di- Ester mixture)    
    
  Revision number:        6    
Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS
    Category 1
  Corrosive to metals
  HEALTH HAZARDS
    Category 5
  Acute toxicity (Oral)
  Skin corrosion/irritation        Category 1C    
    Category 1
  Serious eye damage/eye irritation
  ENVIRONMENTAL HAZARDS        Not classified    
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
  Signal word        Danger    
  Hazard statements        May be corrosive to metals    
    May be harmful if swallowed
    Causes severe skin burns and eye damage
  Precautionary statements:
  [Prevention]        Keep only in original container.    
    Do not breathe dust/fume/gas/mist/vapours/spray.
    Wash hands thoroughly after handling.
    Wear protective gloves/eye protection/face protection.
  [Response]        IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for    
    breathing.
    IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
    IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
    if present and easy to do. Continue rinsing.
    IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse
    skin with water/shower.
    Wash contaminated clothing before reuse.
    Immediately call a POISON CENTER or doctor/physician.
    Absorb spillage to prevent material damage.
  [Storage]        Store locked up.    
  [Disposal]        Dispose of contents/container through a waste management company authorized by    
    the local government.
  mixture)
Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Mixture    
  Components:        2-Ethylhexyl Phosphate (Mono- and Di- Ester mixture)    
  Percent:        ....    
  CAS Number:        12645-31-7    
  Synonyms:        Phosphoric Acid 2-Ethylhexyl Ester (Mono- and Di- Ester mixture) , Octyl Phosphate    
    (Mono- and Di- Ester mixture) , Phosphoric Acid Octyl Ester (Mono- and Di- Ester
    mixture)
  Chemical Formula:        ----    
Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.    
    Immediately call a POISON CENTER or doctor/physician.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Gently wash with plenty of    
    soap and water. Immediately call a POISON CENTER or doctor/physician.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present    
    and easy to do. Continue rinsing.Immediately call a POISON CENTER or
    doctor/physician.
  Ingestion:        Immediately call a POISON CENTER or doctor/physician. Rinse mouth. Do NOT    
    induce vomiting.
    A rescuer should wear personal protective equipment, such as rubber gloves and air-
  Protection of first-aiders:
    tight goggles.
Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, water spray, carbon dioxide.    
  media:
  Unsuitable extinguishing Solid streams of water
  media:
  Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
  from the chemical:        generate poisonous fume.    
  Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Remove movable
    containers if safe to do so.
  Special protective        When extinguishing fire, be sure to wear personal protective equipment.    
  equipment for firefighters:
Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions,        Use extra personal protective equipment (self-contained breathing apparatus). Keep    
  protective equipment and people away from and upwind of spill/leak. Ensure adequate ventilation. Entry to non-
  emergency procedures: involved personnel should be controlled around the leakage area by roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust).
  containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected
  up: material should be promptly disposed of, in accordance with appropriate laws and
    regulations.
Section 7. HANDLING AND STORAGE
  Precautions for safe handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    Prevent generation of vapour or mist. Wash hands and face thoroughly after
    handling.
    Use a closed system if possible. Use a ventilation, local exhaust if vapour or aerosol
    will be generated.
    Avoid contact with skin, eyes and clothing.
  Advice on safe handling:
    Use corrosive resistant equipment.
  mixture)
Section 7. HANDLING AND STORAGE
  Conditions for safe storage, including any
  incompatibilities
  Storage conditions:        Keep container tightly closed. Store in a cool and dark place.    
    Store locked up.
    Store away from incompatible materials such as oxidizing agents.
  Packaging material:        Comply with laws. Keep only in original container.    
Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
    Install a closed system or local exhaust. Also install safety shower and eye bath.
  Engineering controls:
  Personal protective equipment
  Respiratory protection: Half or full facepiece respirator, self-contained breathing apparatus(SCBA), supplied
    air respirator, etc. Use respirators approved under appropriate government standards
    and follow local and national regulations.
  Hand protection:        Impervious gloves.    
    Safety goggles. A face-shield, if the situation requires.
  Eye protection:
  Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.
Section 9. PHYSICAL AND CHEMICAL PROPERTIES
    Liquid
  Physical state (20°C):
  Form:        Clear    
  Colour:        Colorless - Pale yellow    
    No data available
  Odour:
  pH: No data available
  Melting point/freezing point:No data available
  Boiling point/range:        No data available    
    No data available
  Flash point:
  Flammability or explosive
  limits:
  Lower:        No data available    
    No data available
  Upper:
  Relative density:        1.01    
  Solubility(ies):
  [Water]        No data available    
  [Other solvents]
  Soluble:        Ethanol, Toluene    
Section 10. STABILITY AND REACTIVITY
  Chemical stability:        Stable under proper conditions.    
  Possibility of hazardous No special reactivity has been reported.
  reactions:
  Incompatible materials: Oxidizing agents, Bases
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Phosphorus oxides, Phosphine
  products:
Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        No data available    
  Skin corrosion/irritation: No data available
  Serious eye        No data available    
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
  IARC =        No data available    
    No data available
  NTP =
  Reproductive toxicity:        No data available    
  mixture)
Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available    
  Crustacea:        No data available    
  Algae:        No data available    
  Persistence / degradability: No data available
  Bioaccumulative        1230    
  potential(BCF):
  Mobility in soil
  Log Pow:        No data available    
  Soil adsorption (Koc):        No data available    
  Henry's Law        No data available    
  constant(PaM3/mol):
Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical
    incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when
    disposing of the substance.
Section 14. TRANSPORT INFORMATION
  Hazards Class:        8: Corrosive.    
  UN-No:        3265    
  Proper shipping name:        Corrosive liquid, acidic, organic, n.o.s.    
  Packing group:        III    
Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
  and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
    loading and unloading were prescribed.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2919900090

概述：
HS:2919900090 其他磷酸酯及其盐（包括乳磷酸盐）（包括它们的卤化，磺化，硝化和亚硝化衍生物） 增值税率:17.0% 退税率:9.0% 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%
申报要素：
品名, 成分含量, 用途
监管条件：
A.入境货物通关单B.出境货物通关单
检验检疫：
R.进口食品卫生监督检验S.出口食品卫生监督检验M.进口商品检验N.出口商品检验
摘要/Summary：
2919900090 other phosphoric esters and their salts, including lactophosphates; their halogenated, sulphonated, nitrated or nitrosated derivatives。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。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

1、摩尔折射率：无可用的

2、摩尔体积（cm3/mol）：无可用的

3、等张比容（90.2K）：无可用的

4、表面张力（dyne/cm）：无可用的

5、介电常数：无可用的

6、极化率（10-24cm3）：无可用的

7、单一同位素质量：532.329391 Da

8、标称质量：532 Da

9、平均质量：532.6283 Da

计算化学数据

1、   氢键供体数量：4

2、   氢键受体数量：5

3、   可旋转化学键数量：5

4、   拓扑分子极性表面积（TPSA）：98

5、   重原子数量：14

6、   表面电荷：0

7、   复杂度：102

8、   同位素原子数量：0

9、   确定原子立构中心数量： 0

10、   不确定原子立构中心数量：1

11、   确定化学键立构中心数量：0

12、   不确定化学键立构中心数量：0

13、   共价键单元数量：2

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