cas号： 5205-07-2 ，名称：乙酸-3-甲基-3-丁烯-1-醇酯的性质/作用/用途-化学加百科

乙酸-3-甲基-3-丁烯-1-醇酯基本信息
CAS号	5205-07-2	分子式	C7H12O2
分子量	128.17	精确质量	128.08373
PSA	26.30000	LogP	1.51570

基本信息展开↓

CAS号：: 5205-07-2
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：: 乙酸-3-甲基-3-丁烯-1-醇酯
英文名称：: 3-Buten-1-ol, 3-methyl-, 1-acetate
中文别名：: 乙酸-3-甲基-3-丁烯-1-醇酯;
3-甲基-3-丁烯-1-醇乙酸酯;
乙酸异戊烯酯;
3-甲基-3-丁烯醇乙酸酯;
Anthranilicacid, 5-chloro-, methyl ester (6CI,7CI,8CI);
2-Amino-5-chlorobenzoic acidmethyl ester;
Methyl2-amino-5-chlorobenzoate;
5-chloro-3-methyl-2-methyl anthranilate;
2-Amino-5-Chlorobenzonic acid methyl ester;
methyl 2-amino-5-chlorobenzoate;
L-Ornithine 2-Oxoglutarate;
L-Ornithine a-Ketoglutarate(1:1);
L-Ornithine-α-ketoglutarate (1:1);
L-Ornithine Alpha-Ketoglutarate (1:1) Dihydrate;
p-Chlorophenyl sulfide;
1,1'-sulfanediylbis(4-chlorobenzene);
4,4'-Dichloro Diphenyl Sulfide;
4,4'-Dichlorodiphenylsulfide;
1-Pyrrolidinecarbodithioic acid, ammoniumsalt;
N(beta-aminoethyl)gamma-aminopropyltriethoxy-silane;
Silane coupler KH-791;
8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one hydrochloride (1:1);
2-OXAZOLIDINONE-5-SPIRO-4'-[N-(2-PHENYLETHYL)PIPERIDINE] HYDROCHLORIDE;
Fenspiride hydrochloride
英文别名：: 3-Buten-1-ol, 3-methyl-, 1-acetate;
3-Methyl-3-buten-1-yl acetate;
3-Methyl-3-buten-1-ol, acetate;
3-methyl-3-butenyl acetate;
Acetic acid, 3-methylbut-3-enyl ester;
3-Buten-1-ol, 3-methyl-, acetate;
iso prenyl acetate;
3-methylbut-3-en-1-yl acetate;
5-chloro-3-methyl-2-methyl anthranilate;
2-Amino-5-Chlorobenzonic acid methyl ester;
methyl 2-amino-5-chlorobenzoate;
L-Ornithine 2-Oxoglutarate;
L-Ornithine a-Ketoglutarate(1:1);
L-Ornithine-α-ketoglutarate (1:1);
L-Ornithine Alpha-Ketoglutarate (1:1) Dihydrate;
p-Chlorophenyl sulfide;
1,1'-sulfanediylbis(4-chlorobenzene);
4,4'-Dichloro Diphenyl Sulfide;
4,4'-Dichlorodiphenylsulfide;
1-Pyrrolidinecarbodithioic acid, ammoniumsalt;
N(beta-aminoethyl)gamma-aminopropyltriethoxy-silane;
Silane coupler KH-791;
8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one hydrochloride (1:1);
2-OXAZOLIDINONE-5-SPIRO-4'-[N-(2-PHENYLETHYL)PIPERIDINE] HYDROCHLORIDE;
Fenspiride hydrochloride
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。
EINECS：: 225-996-6
InChI：: InChI=1/C7H12O2/c1-6(2)4-5-9-7(3)8/h1,4-5H2,2-3H3

物化性质展开↓

密度：: 0.899±0.06 g/cm3
沸点：: 147.3±19.0 °C
闪点：: 56.8±19.9 °C
水溶解性：: Slightly Soluble (8.8 g/L)
折射率：: 1.416
蒸汽密度：: 4.46 Torr

合成路线查看所有的合成路线

763-32-6

3-甲基-3-丁烯-1-醇
+
108-24-7

乙酸酐
→

~94%
5205-07-2

乙酸-3-甲基-3-丁烯-1-醇酯

766-15-4

二甲基二恶烷
→

~10%
16302-35-5

4-methyl-3,6-dihydro-2H-pyran
+
1191-16-8

梨醇酯
+
5205-07-2

乙酸-3-甲基-3-丁烯-1-醇酯
+
75338-22-6

4,6-dioxa-3,3-dimethyloctanol-1-acetate

766-15-4

二甲基二恶烷
+
141-78-6

乙酸乙酯
→

~9%
16302-35-5

4-methyl-3,6-dihydro-2H-pyran
+
462-95-3

二乙氧基甲烷
+
1191-16-8

梨醇酯
+
5205-07-2

乙酸-3-甲基-3-丁烯-1-醇酯
+
75338-22-6

4,6-dioxa-3,3-dimethyloctanol-1-acetate
+
78-79-5

异戊二烯

MSDS 展开↓

Version 1.1
Regulation (EC) No 1907/2006

1 - Product and Company Information

Product Name 3-METHYL-3-BUTEN-1-YL ACETATE - 50 MG

2 - Hazards Identification

SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT
Flammable.

3 - Composition/Information on Ingredients

    Product Name        CAS #        EC no        Annex I
    Index Number
    3-METHYL-3-BUTEN-1-YL ACETATE        5205-07-2 225-996-6 None
    Formula        C7H12O2
    Molecular Weight 128,1710 AMU
    Synonyms        3-Buten-1-ol, 3-methyl-, acetate

4 - First Aid Measures

    AFTER INHALATION
    If inhaled, remove to fresh air. If not breathing give
    artificial respiration. If breathing is difficult, give oxygen.
    AFTER SKIN CONTACT
    In case of skin contact, flush with copious amounts of water for
    at least 15 minutes. Remove contaminated clothing and shoes.
    Call a physician.
    AFTER EYE CONTACT
    In case of contact with eyes, flush with copious amounts of
    water for at least 15 minutes. Assure adequate flushing by
    separating the eyelids with fingers. Call a physician.
    AFTER INGESTION
    If swallowed, wash out mouth with water provided person is
    conscious. Call a physician immediately.

5 - Fire Fighting Measures
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    EXTINGUISHING MEDIA
    Suitable: For small (incipient) fires, use media such as
    "alcohol" foam, dry chemical, or carbon dioxide. For large
    fires, apply water from as far as possible. Use very large
    quantities (flooding) of water applied as a mist or spray; solid
    streams of water may be ineffective. Cool all affected
    containers with flooding quantities of water.
    SPECIAL RISKS
    Specific Hazard(s): Flammable liquid. Emits toxic fumes under
    fire conditions.
    Explosion Hazards: Vapor may travel considerable distance to
    source of ignition and flash back. Container explosion may occur
    under fire conditions.
    SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS
    Wear self-contained breathing apparatus and protective clothing
    to prevent contact with skin and eyes.

6 - Accidental Release Measures

    PERSONAL PRECAUTION PROCEDURES TO BE FOLLOWED IN CASE OF LEAK OR SPILL
    Evacuate area. Shut off all sources of ignition. Use nonsparking
    tools.
    PROCEDURE(S) OF PERSONAL PRECAUTION(S)
    Wear self-contained breathing apparatus, rubber boots, and heavy
    rubber gloves.
    METHODS FOR CLEANING UP
    Cover with dry-lime, sand, or soda ash. Place in covered
    containers using non-sparking tools and transport outdoors.
    Ventilate area and wash spill site after material pickup is
    complete.

7 - Handling and Storage

    HANDLING
    Directions for Safe Handling: Avoid contact with eyes, skin, and
    clothing. Do not breathe vapor. Avoid prolonged or repeated
    exposure.
    STORAGE
    Conditions of Storage: Keep container closed. Keep away from
    heat, sparks, and open flame.

8 - Exposure Controls / Personal Protection

    ENGINEERING CONTROLS
    Safety shower and eye bath. Use nonsparking tools. Mechanical
    exhaust required.
    GENERAL HYGIENE MEASURES
    Wash thoroughly after handling.
    PERSONAL PROTECTIVE EQUIPMENT
    Respiratory Protection: Use respirators and components tested and
    approved under appropriate government standards such as NIOSH (US)
    or CEN (EU). Where risk assessment shows air-purifying respirators
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    are appropriate use a full-face respirator with multi-purpose
    combination (US) or type ABEK (EN 14387) respirator cartridges as
    a backup to engineering controls. If the respirator is the sole
    means of protection, use a full-face supplied air respirator.
    Hand Protection: Compatible chemical-resistant gloves.
    Eye Protection: Chemical safety goggles.

9 - Physical and Chemical Properties

    Appearance        Physical State: Liquid
    Property        Value        At Temperature or Pressure
    pH N/A
    BP/BP Range        N/A
    MP/MP Range        N/A
    Flash Point        < 25,000 °C
    Flammability        N/A
    Autoignition Temp        N/A
    Oxidizing Properties N/A
    Explosive Properties N/A
    Explosion Limits        N/A
    Vapor Pressure        N/A
    Partition Coefficient Log Kow: 2,120
    Viscosity        N/A
    Vapor Density        N/A
    Saturated Vapor Conc. N/A
    Evaporation Rate        N/A
    Bulk Density        N/A
    Decomposition Temp.        N/A
    Solvent Content        N/A
    Water Content        N/A
    Surface Tension        N/A
    Conductivity        N/A
    Miscellaneous Data        N/A
    Solubility        N/A

10 - Stability and Reactivity

    STABILITY
    Stable: Stable.
    Materials to Avoid: Strong oxidizing agents.
    HAZARDOUS DECOMPOSITION PRODUCTS
    Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide.
    HAZARDOUS POLYMERIZATION
    Hazardous Polymerization: Will not occur

11 - Toxicological Information

    ACUTE TOXICITY
    LD50
    Oral
    Rat
    > 10.000, mg/kg
    ROUTE OF EXPOSURE
    Skin Contact: May cause skin irritation.
    Skin Absorption: May be harmful if absorbed through the skin.
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    Eye Contact: May cause eye irritation.
    Inhalation: May be harmful if inhaled. Material may be
    irritating to mucous membranes and upper respiratory tract.
    Ingestion: May be harmful if swallowed.

12 - Ecological Information

No data available.

13 - Disposal Considerations

    SUBSTANCE DISPOSAL
    Contact a licensed professional waste disposal service to dispose
    of this material. Burn in a chemical incinerator equipped with an
    afterburner and scrubber but exert extra care in igniting as this
    material is highly flammable. Observe all federal, state, and
    local environmental regulations.

14 - Transport Information

    RID/ADR
    UN#: 1993
    Class: 3
    PG: III
    Kemmler Number: 30
    Proper Shipping Name: Flammable liquid, n.o.s.
    IMDG
    UN#: 1993
    Class: 3
    PG: III
    Proper Shipping Name: Flammable liquid, n.o.s.
    Marine Pollutant: No
    Severe Marine Pollutant: No
    Technical Name: Required
    IATA
    UN#: 1993
    Class: 3
    PG: III
    Proper Shipping Name: Flammable liquid, n.o.s.
    Inhalation Packing Group I: No
    Technical Name: Required

15 - Regulatory Information

    CLASSIFICATION AND LABELING ACCORDING TO EU DIRECTIVES
    R-PHRASES: 10
    Flammable.
    S-PHRASES: 16
    Keep away from sources of ignition - no smoking.

16 - Other Information

    WARRANTY
    The above information is believed to be correct but does not
    purport to be all inclusive and shall be used only as a guide. The
    information in this document is based on the present state of our
    knowledge and is applicable to the product with regard to
    appropriate safety precautions. It does not represent any
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    guarantee of the properties of the product. Inc.,
    shall not be held liable for any damage resulting from handling or
    from contact with the above product. See reverse side of invoice
    or packing slip for additional terms and conditions of sale.
    Copyright 2010 Co. License granted to make
    unlimitedpaper copies for internal use only.
    DISCLAIMER
    For R&D use only. Not for drug, household or other uses.
    ALDRICH        www.molbase.com

SECTION 16 - ADDITIONAL INFORMATION
N/A