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美布氨酯

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品
  • 表征图谱

美布氨酯 基本信息

中文名称：
美布氨酯 
中文别名：
美布氨酯;
甲基眠尔通;
2-甲基-2-(1-甲丙基)-1,3-丙二醇二氨基甲酸酯 
英文名称：
1,3-Propanediol,2-methyl-2-(1-methylpropyl)-, 1,3-dicarbamate
英文别名：
[2-(carbamoyloxymethyl)-2,3-dimethylpentyl] carbamate;
Mebutina;
Ipotensivo;
2-sec-Butyl-1,3-bis-carbamoyloxy-2-methyl-propan;
Vallene;
4-sec-Butyl-4-methyl-2,6-dioxa-heptandisaeure-diamid;
2-methyl-2-(1-methylpropyl)-1,3-propanediol dicarbamate;
Dormate;
4-sec-butyl-4-methyl-2,6-dioxa-heptanedioic acid diamide;
1-Carbamoyloxy-2-carbamoyloxymethan-2,3-dimethyl-pentan;
Carbuten;
Encapla;
Preminex;
Mebutamate;
Mebutamat 
CAS No.：
64-55-1
分 子 式：
C10H20N2O4
分 子 量：
232.28
精确分子量：
232.14200
PSA：
104.64000
EINECS：
200-587-5
InChI：
The Key: LEROTMJVBFSIMP-UHFFFAOYSA-N
风险术语：
R36/37/38
安全术语：
S26S36/S37/S39
分子结构式：
SDS：
查看

美布氨酯 物化性质

密度：
1.114g/cm3
沸点：
435ºC at 760 mmHg
闪点：
216.8ºC
折射率：
1.477
其它信息：

1.       性状：不确定

2.       密度（g/mL,25/4℃）：不确定

3.       相对蒸汽密度（g/mL,空气=1）：不确定

4.       熔点（ºC）：不确定

5.       沸点（ºC,常压）：不确定

6.       沸点（ºC, 5.2kPa）：不确定

7.       折射率：不确定

8.       闪点（ºC）：不确定

9.       比旋光度（º）：不确定

10.    自燃点或引燃温度（ºC）：不确定

11.    蒸气压（kPa,25ºC）：不确定

12.    饱和蒸气压（kPa,60ºC）：不确定

13.    燃烧热（KJ/mol）：不确定

14.    临界温度（ºC）：不确定

15.    临界压力（KPa）：不确定

16.    油水（辛醇/水）分配系数的对数值：不确定

17.    爆炸上限（%,V/V）：不确定

18.    爆炸下限（%,V/V）：不确定

19.    溶解性：不确定

美布氨酯 安全信息

海关代码：
2924199090
危险类别码：
36/37/38
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。
:

美布氨酯 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TY3850000
CHEMICAL NAME :
1,3-Propanediol, 2-sec-butyl-2-methyl-, dicarbamate
CAS REGISTRY NUMBER :
64-55-1
BEILSTEIN REFERENCE NO. :
1788226
LAST UPDATED :
199612
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C10-H20-N2-O4
MOLECULAR WEIGHT :
232.32
WISWESSER LINE NOTATION :
ZVO1X1&1OVZY2&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1160 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - other changes
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 134,356,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
410 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - other changes
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 134,356,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
550 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - other changes
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 134,356,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
460 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 12,462,1969
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Bird - wild bird species
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 21,315,1972
毒理学数据：

急性毒性：大鼠口经LD50：1160 mg/kg；大鼠腹腔LD50：410 mg/kg；小鼠口经LD50：550 mg/kg；小鼠腹腔LD50：460 mg/kg；

美布氨酯 MSDS

  2-Methyl-2-(1-methylpropyl)-1,3-propanediol
  Dicarbamate
  SAFETY DATA SHEET
Section 1. IDENTIFICATION
  Product name:        2-Methyl-2-(1-methylpropyl)-1,3-propanediol Dicarbamate    
Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS        Not classified    
  HEALTH HAZARDS
  Acute toxicity (Oral)        Category 4    
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
  Signal word        Warning    
    Harmful if swallowed
  Hazard statements
  Precautionary statements:
    Do not eat, drink or smoke when using this product.
  [Prevention]
    Wash hands thoroughly after handling.
    IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell.
  [Response]
    Rinse mouth.
    Dispose of contents/container through a waste management company authorized by
  [Disposal]
    the local government.
Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        2-Methyl-2-(1-methylpropyl)-1,3-propanediol Dicarbamate    
  Percent:        >98.0%(N)    
    64-55-1
  CAS Number:
  Synonyms:        Mebutamate    
  Chemical Formula:        C10H20N2O4    
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.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Rinse skin with    
    water/shower. If skin irritation or rash occurs: Get medical advice/attention.
  2-Methyl-2-(1-methylpropyl)-1,3-propanediol
  Dicarbamate
Section 4. FIRST AID MEASURES
  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:        Call a POISON CENTER or doctor/physician 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:
  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 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 - Slightly pale yellow    
    No data available
  Odour:
  pH: No data available
  2-Methyl-2-(1-methylpropyl)-1,3-propanediol
  Dicarbamate
Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Melting point/freezing point:92°C
  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    
  [Other solvents]        No data available    
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, Nitrogen oxides (NOx)
  products:
Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        orl-rat LD50:1160 mg/kg    
  Skin corrosion/irritation: No data available
  Serious eye        No data available    
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
  IARC =        No data available    
  NTP =        No data available    
  Reproductive toxicity:        No data available    
  RTECS Number:        TY3850000    
Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available    
    No data available
  Crustacea:
  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    
    No data available
  Henry's Law
  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    
  2-Methyl-2-(1-methylpropyl)-1,3-propanediol
  Dicarbamate
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

美布氨酯 海关数据

中国海关编码：2924199090

概述：
2924199090. 其他无环酰胺（包括无环氨基甲酸酯)(包括其衍生物及盐）. 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:30.0%
申报要素：
品名, 成分含量, 用途, 包装
摘要/Summary：
2924199090. other acyclic amides (including acyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

美布氨酯 分子结构与计算化学数据

分子结构数据

五、分子性质数据：

1、   摩尔折射率：58.92

2、   摩尔体积（m3/mol）：208.3

3、   等张比容（90.2K）：530.0

4、   表面张力（dyne/cm）：41.8

5、   极化率（10-24cm3）：23.35

 

计算化学数据

1.疏水参数计算参考值（XlogP）:1.4

2.氢键供体数量:2

3.氢键受体数量:4

4.可旋转化学键数量:8

5.互变异构体数量:3

6.拓扑分子极性表面积105

7.重原子数量:16

8.表面电荷:0

9.复杂度:237

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:1

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

美布氨酯 下游产品

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