1636-27-7 (二丙基丙二酸,2,2-Dipropylmalonic Acid)

CAS号:
1636-27-7
中文名称:
二丙基丙二酸
英文名称:
2,2-Dipropylmalonic Acid
安全信息:
分子式:
C9H16O4
分子量:
188.220943450928

二丙基丙二酸(1636-27-7)名称与标识符

名称

中文别名:
二丙基丙二酸;丁基丙二酸;二正丙基丙二酸;Dipropylmalonic Acid 二丙基丙二酸;甲萘氢醌硫酸钠;二-正丙基丙二酸;丙戊酸钠杂质14;二正丙基丙二酸,98%;
英文别名:
2,2-Dipropylmalonic acid;Dipropylmalonicacid;Dipropylmalonic Aicd;Di-n-propylmalonic acid;2,2-dipropylpropanedioic acid;Heptane-4,4-dicarboxylic Acid;dipropylpropanedioicacid;dipropyl propionic acid;heptane-4,4-dicaboxylic acid;Sodium Valproate Impurity 14;dipropylmalonic acid;Propanedioic acid, dipropyl-;Malonic acid, dipropyl-;4,4-Heptanedicarboxylic acid;Dipropylmalonsaure;2,2-Dipropylmalonic acid #;Jsp003285;DIRSQLKNZQKDBK-UHFFFAOYSA-;DT;W-107951;HMS1664L14;EINECS 216-664-1;AKOS005255669;FT-0625203;1636-27-7;NSC-62680;2,2-Dipropylmalonicacid;NSC 62680;NSC62680;NS00011499;T70377;D0934;InChI=1/C9H16O4/c1-3-5-9(6-4-2,7(10)11)8(12)13/h3-6H2,1-2H3,(H,10,11)(H,12,13);(2R)-2-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-acetonitrile;CS-W016800;EN300-144409;SCHEMBL1031267;1243652-35-8;MFCD00051476;AS-60942;DTXSID20167624;EC 216-664-1;D-Glucitol 1-[2-[2-[4-[(4-Chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]acetate];dipropylpropanedioic acid;DIRSQLKNZQKDBK-UHFFFAOYSA-N;A810495;TCZ7R27J3X;Propanedioic acid, 2,2-dipropyl-;2,2'-Dipropylmalonic acid;DB-043565;DTXCID1090115;216-664-1;

标识符

MDL:
MFCD00051476
InChIKey:
DIRSQLKNZQKDBK-UHFFFAOYSA-N
Inchi:
1S/C9H16O4/c1-3-5-9(6-4-2,7(10)11)8(12)13/h3-6H2,1-2H3,(H,10,11)(H,12,13)
SMILES:
OC(C(C(=O)O)(CCC)CCC)=O
BRN:
1775937

二丙基丙二酸(1636-27-7)物化性质

实验特性

  • LogP : 1.74220
  • PSA : 74.60000
  • 折射率 : 1.474
  • 沸点 : 207.0±8.0 °C at 760 mmHg
  • 熔点 : 154-156°C
  • 蒸气压 : 0.2±0.4 mmHg at 25°C
  • 闪点 : 89.4±16.9 °C
  • 颜色与性状 : 白色晶状粉末。
  • 溶解性 : 微溶于水。
  • 密度 : 1.0±0.1 g/cm3

计算特性

  • 精确分子量 : 188.10500
  • 氢键供体数量 : 2
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 6
  • 同位素质量 : 188.105
  • 重原子数量 : 13
  • 复杂度 : 176
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2.2
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 74.6

二丙基丙二酸(1636-27-7)国际标准相关数据

EINECS:
216-664-1

二丙基丙二酸(1636-27-7)海关数据

海关编码:
2917190090
海关数据:

中国海关编码:

2917190090

概述:

2917190090 其他无环多元羧酸. 增值税率:17.0% 退税率:9.0% 监管条件:无 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, 对苯二甲酸请注明4-CBA值, 对苯二甲酸请注明P-TL酸值, 对苯二甲酸请注明色度, 对苯二甲酸请注明水分

Summary:

2917190090 acyclic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

二丙基丙二酸(1636-27-7)生产方法和用途

用途:
该品为抗癫痫药物抗癫灵的中间体。
生产方法:
由二丙基丙二酸二乙酯经水解而得。将二丙基丙二酸二乙酯、乙醇与相对密度为1.4的氢氧化钾溶液混合搅拌,回流反应4h。回收乙醇,冷却,用盐酸酸化至pH为1,静置。过滤,干燥,得二丙基丙二酸。收率80%。

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二丙基丙二酸(1636-27-7)相关文献

二丙基丙二酸(1636-27-7)参考资料

Reaxys RN:
1775937
Beilstein:
MFCD00051476
PubChem CID:

二丙基丙二酸(1636-27-7) MSDS

基础信息

  Dipropylmalonic Acid      Revision number: 5    
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        Dipropylmalonic Acid    
    
  Revision number:        5    

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS        Not classified    
  HEALTH HAZARDS
  Skin corrosion/irritation        Category 2    
    Category 2A
  Serious eye damage/eye irritation
  ENVIRONMENTAL HAZARDS        Not classified    
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
  Signal word        Warning    
  Hazard statements        Causes skin irritation    
    Causes serious eye irritation
  Precautionary statements:
    Wash hands thoroughly after handling.
  [Prevention]
    Wear protective gloves/eye protection/face protection.
    IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
  [Response]
    if present and easy to do. Continue rinsing.
    If eye irritation persists: Get medical advice/attention.
    IF ON SKIN: Gently wash with plenty of soap and water.
    If skin irritation occurs: Get medical advice/attention.
    Take off contaminated clothing and wash before reuse.

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        Dipropylmalonic Acid    
  Percent:        >99.0%(T)    
  CAS Number:        1636-27-7    
  Synonyms:        Heptane-4,4-dicarboxylic Acid    
    C9H16O4
  Chemical Formula:

Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.    
    Get medical advice/attention if you feel unwell.
  Dipropylmalonic Acid

Section 4. FIRST AID MEASURES
  Skin contact:        Remove/Take off immediately all contaminated clothing. Gently wash with plenty of    
    soap and water. If skin irritation or rash occurs: Get medical advice/attention.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present    
    and easy to do. Continue rinsing. If eye irritation persists: Get medical
    advice/attention.
  Ingestion:        Get medical advice/attention if you feel unwell. Rinse mouth.    
    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:
  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 personal protective equipment. Keep people away from and upwind of spill/leak.    
  protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
  emergency procedures: roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
  containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
  up: 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 dispersion of dust. Wash hands and face thoroughly after handling.
    Use a local exhaust if dust or aerosol will be generated.
  Advice on safe handling: Avoid contact with skin, eyes and clothing.
  Conditions for safe storage, including any
  incompatibilities
  Storage conditions:        Keep container tightly closed. Store in a cool and dark place.    
    Store away from incompatible materials such as oxidizing agents.
  Packaging material:        Comply with laws.    

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust as possible so that workers should not be    
    exposed directly. Also install safety shower and eye bath.
  Personal protective equipment
  Respiratory protection: Dust respirator. Follow local and national regulations.
  Hand protection:        Protective gloves.    
    Safety glasses. A face-shield, if the situation requires.
  Eye protection:
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Solid    
    Crystal- Powder
  Form:
  Colour:        White - Almost white    
    No data available
  Odour:
  pH: No data available
  Melting point/freezing point:158°C
  Dipropylmalonic Acid

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Boiling point/range:        No data available    
  Flash point:        No data available    
  Flammability or explosive
  limits:
  Lower:        No data available    
  Upper:        No data available    
  Relative density:        No data available    
  Solubility(ies):
  [Water]        No data available    
    No data available
  [Other solvents]

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
  Hazardous decomposition Carbon monoxide, Carbon dioxide
  products:

Section 11. TOXICOLOGICAL INFORMATION
    No data available
  Acute Toxicity:
  Skin corrosion/irritation: No data available
  Serious eye        No data available    
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
    No data available
  IARC =
  NTP =        No data available    
    No data available
  Reproductive toxicity:

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available    
  Crustacea:        No data available    
  Algae:        No data available    
  Persistence / degradability: No data available
  Bioaccumulative        No data available    
  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 dissolve or mix material
    with a combustible solvent and 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:        Does not correspond to the classification standard of the United Nations    
  UN-No:        Not listed    
  Dipropylmalonic Acid

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