反-3-己烯二酸甲酯,25126-93-6，生产厂家，价格-洛克化工网移动版

反-3-己烯二酸甲酯

中文名称：: 反-3-己烯二酸甲酯

中文别名：: 反-3-己烯二酸二甲酯;
反-3-己烯二酸甲酯

英文名称：: 3-Hexenedioic acid,1,6-dimethyl ester, (3E)-

英文别名：: Dimethyl trans-3-Hexenedioate;
dimethyl 3-hexenedioate;
(E)-3-Hexenedioic acid dimethyl ester;
Hexenedioicaciddimethylester;
dimethyl E-hex-3-en-1,6-dioate;
dimethyl hex-3-enedioate;
dimethyl hex-3-endioate;
1,4-dicarbomethoxybut-2-ene;
dimethyl hex-3-ene-1,6-dioate;
trans-3-Hexenedioic Acid Dimethyl Ester;
DIMETHYL TRANS-2-BUTENE-1,4-DICARBOXYLATE;
Dimethyl (E)-Hex-3-enedioate;
(E)-3-Hexenedioic acid dimethyl;
(E)-diMethyl hex-2-enedioate;
TRANS-3-HEXENEDIOIC ACID DIMETHYL ESTER;
Dimethyl trans--Hydromuconate;
2-butene-1,4-dicarboxylic acid diester

CAS No.：: 25126-93-6

分子式：: C₈H₁₂O₄

分子量：: 172.18

精确分子量：: 172.07400

PSA：: 52.60000

InChI：: The Key: CPSQPCGPYWRIPB-ONEGZZNKSA-N3

分子结构式：

SDS：: 查看

反-3-己烯二酸甲酯物化性质

密度：: 1.068g/cm3
熔点：: 17ºC
沸点：: 221.4ºC at 760mmHg
闪点：: 102.3ºC
折射率：: 1.442
蒸汽压：: 0.107mmHg at 25°C
其它信息：: 1.       性状：未确定

2.       密度（g/mL,25/4℃）：1.1

3.       相对蒸汽密度（g/mL,空气=1）：未确定

4.       熔点（ºC）：17

5.       沸点（ºC,2mmhg）：125

6.       沸点（ºC,5.2kPa）：未确定

7.       折射率：未确定

8.       闪点（ºC）：17

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,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

反-3-己烯二酸甲酯安全信息

海关代码：: 2917190090

反-3-己烯二酸甲酯 MSDS

Dimethyl trans-3-Hexenedioate Revision number: 5
SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        Dimethyl trans-3-Hexenedioate

  Revision number:        5

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS        Not classified
    Not classified
  HEALTH HAZARDS
  ENVIRONMENTAL HAZARDS        Not classified
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols        None
    No signal word
  Signal word
  Hazard statements        None
    None
  Precautionary statements:

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance
  Components:        Dimethyl trans-3-Hexenedioate
  Percent:        >98.0%(GC)
  CAS Number:        25126-93-6
  Synonyms:        trans-3-Hexenedioic Acid Dimethyl Ester
  Chemical Formula:        C8H12O4

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.
  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.
  Protection of first-aiders:        A rescuer should wear personal protective equipment, such as rubber gloves and air-
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, water spray, carbon dioxide.
  media:
  Unsuitable extinguishing Solid streams of water
  media:
  Dimethyl trans-3-Hexenedioate

Section 5. FIRE-FIGHTING MEASURES
  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
    Use personal protective equipment. Keep people away from and upwind of spill/leak.
  Personal precautions,
  protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled
  emergency procedures: 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 ventilation, local exhaust if vapour 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
    Install a closed system or local exhaust as possible so that workers should not be
  Engineering controls:
    exposed directly. Also install safety shower and eye bath.
  Personal protective equipment
  Respiratory protection: Vapor respirator. Follow local and national regulations.
  Hand protection:        Protective gloves.
  Eye protection:        Safety glasses. A face-shield, if the situation requires.
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Liquid
  Form:        Clear
    Colorless - Very pale yellow
  Colour:
  Odour:        No data available
  pH: No data available
  Melting point/freezing point:17°C (Freezing point)
    125°C/1.9kPa
  Boiling point/range:
  Flash point:        No data available
  Flammability or explosive
  limits:
    No data available
  Lower:
  Upper:        No data available
    1.10
  Relative density:
  Solubility(ies):
    No data available
  [Water]
  [Other solvents]        No data available
  Dimethyl trans-3-Hexenedioate

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
  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

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
    No data available
  Log Pow:
  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
    Does not correspond to the classification standard of the United Nations
  Hazards Class:
  UN-No:        Not listed

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.
  Dimethyl trans-3-Hexenedioate

SECTION 16 - ADDITIONAL INFORMATION
N/A

反-3-己烯二酸甲酯海关数据

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
摘要/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%

反-3-己烯二酸甲酯分子结构与计算化学数据

分子结构数据

1、摩尔折射率： 42.71

2、摩尔体积（m³/mol）：161.1

3、等张比容（90.2K）：387.1

4、表面张力（dyne/cm）：33.2

5、极化率（10^-24cm³）：16.93

计算化学数据

1、疏水参数计算参考值（XlogP）：0.5

2、氢键供体数量：0

3、氢键受体数量：4

4、可旋转化学键数量：6

5、拓扑分子极性表面积（TPSA）：52.6

6、重原子数：12

7、表面电荷：0

8、复杂度：164

9、同位素原子数量：0

10、确定原子立构中心数量：0

11、不确定原子立构中心数量：0

12、确定化学键立构中心数量：0

13、不确定化学键立构中心数量：1

14、共价键单元数量：1

反-3-己烯二酸甲酯上游产品

甲醇己-3-烯二酸 (E,E)-2,4-己二烯二酸二甲酯

反-3-己烯二酸甲酯下游产品

dimethyl meso-3,4-epoxyadipate 间氯苯甲酸己-3-烯二酸 3,3-二甲氧基丙酸甲酯丙二酸二甲酯