2-己烯酸甲酯

2-己烯酸甲酯 基本信息
CAS号 2396-77-2 分子式 C7H12O2
分子量 128.17 精确质量 　128.08373
PSA 　26.30000 LogP 　1.51570
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目录
基本信息 物化性质 合成路线 MSDS 上下游

基本信息 展开↓

CAS号：
2396-77-2
3D弹球模型：
立即前往扯扯看
分子式：
C7H12O2
分子量：
128.17
中文名称：
2-己烯酸甲酯
英文名称：
2-Hexenoic acid, methyl ester
中文别名：
2-己烯酸甲酯;
4-(tert-Butyl)benzene-1-thiol;
4-tert-butylbenzenethiol;
4-tert-butylbenzenethiolate;
p-tert-Butylthiophenol;
N-decyl-N,N-dimethyldecan-1-aminium bromide;
N-decyl-N,N-dimethyldecan-1-aminium;
1-decanaminium, N-decyl-N,N-dimethyl-, bromide (1:1);
Di-n-decyl dimethylammonium bromide;
(S)-2-Amino-6-tert-butoxycarbonylamino-hexanoic acid methyl ester hydrochloride;
H-Lys(Boc)-OMe . HCl;
na-T-boc-N-epsilon-cbz-L-lysine*free acid;
3,4-Epoxycyclohexylmethyl 3,4-Epoxycyclohexane Carboxylate;
3,4-Epoxycyclohexylmethyl-3',4-Epoxycyclohexane Carboxylate;
ERL4221;
UVR6110;
7-oxabicyclo[4.1.0]hept-3-ylmethyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;
3,4-Epoxycyclohexylmethyl-3',4'-epoxycyclohexanecarboxylate;
7-oxa-bicyclo[4.1.0]heptan-3-ylmethyl 7-oxa-bicyclo[4.1.0]heptane-3-carboxylate;
3,4-epoxycyclohexylmethyl 3,4-epoxycyclo-hexaneca;
4-hydroxyl-2,2,6,6-tetramethylpiperidine-1-Oxyl;
polymerization inhibitor701;
High-efficiency Inhibitor ZJ-701;
4-Hydroxyl-2,2,6,6-tetramethyl-piperidin-1-oxyl free radical;
4-Hydroxy-2,2,6,6-tetrameth
英文别名：
2-Hexenoic acid, methyl ester;
Methyl 2-hexenoate;
FEMA 2709;
METHYL T2 HEXENOATE;
Hex-2-ensaeure-methylester;
2-Hexenoic Acid Methyl Ester;
hex-2-enoic acid methyl ester;
2-Hexenoic acid methyl;
METHYL TRANS-2-HEXENOATE;
methyl hex-2-enoate
精确分子量/精确质量：
128.08373
极性分子表面积/PSA：
26.30000
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：
InChI=1/C7H12O2/c1-3-4-5-6-7(8)9-2/h5-6H,3-4H2,1-2H3

物化性质展开↓

密度：
0.907±0.06 g/cm3
熔点：
32 °C
沸点：
149.3±9.0 °C
闪点：
45.4±6.2 °C
水溶解性：
Slightly Soluble (4.7 g/L)
折射率：
1.427
蒸汽压：
4.06mmHg at 25°C
蒸汽密度：
4.06 Torr

合成路线查看所有的合成路线

  • 1191-04-4

    反式-2-己烯酸

  • →

    ~99%

  • 2396-77-2

    2-己烯酸甲酯

  • 67-56-1

    甲醇

  • +

  • 627-19-0

    1-戊炔

  • +

  • 201230-82-2

    carbon monoxide

  • →

    ~65%

  • 2396-77-2

    2-己烯酸甲酯

  • +

  • 3070-66-4

    methyl 2-methylidenepentanoate

  • 91664-06-1

    methyl 4-bromohex-2-enoate

  • →

    ~14%

  • 2396-77-2

    2-己烯酸甲酯

  • +

  • 91664-07-2

    91664-07-2

MSDS 展开↓

  Material Safety Data Sheet
Section 1. Identification of the substance
    Product Name:      Methyl 2-hexenoate    
    Synonyms:
Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.
    H226:        Flammable liquid and vapour    
    P210:        Keep away from heat/sparks/open flames/hot surfaces. No smoking    
    P280:        Wear protective gloves/protective clothing/eye protection/face protection    
    P240:        Ground/bond container and receiving equipment    
    P303+P361+P353: IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse skin with
    water/shower
    P403+P235:        Store in a well ventilated place. Keep cool    
Section 3. Composition/information on ingredients.
    Ingredient name:        Methyl 2-hexenoate    
    CAS number:        2396-77-2    
Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing    
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate    
    flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.    
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.    
Section 5. Fire fighting measures
    In the event of a fire involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.
Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator    
    Hand precaution:        Wear suitable gloves/gauntlets    
    Skin protection:        Wear suitable protective clothing    
    Eye protection:        Wear suitable eye protection    
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.
Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly qualified    
    in the handling and use of potentially hazardous chemicals, who should take into account the fire,
    health and chemical hazard data given on this sheet.
    Storage:        Store in closed vessels, refrigerated.    
Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.
Section 9. Physical and chemical properties
    Appearance:        Not specified    
    No data
    Boiling point:
    Melting point:        No data    
    Flash point:        No data    
    Density:        No data    
    Molecular formula: C7H12O2
    Molecular weight: 128.2
Section 10. Stability and reactivity
    Conditions to avoid: Heat, flames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide.
Section 11. Toxicological information
    No data.
Section 12. Ecological information
    No data.
Section 13. Disposal consideration
    Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
    disposal authority, in accordance with national and regional regulations.
Section 14. Transportation information
    UN Number:        UN3272        Class: 3        Packing group: III    
    Proper shipping name: ESTERS, N.O.S. (Methyl 2-hexenoate)
Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.

SECTION 16 - ADDITIONAL INFORMATION
N/A

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