3,3-dimethyl-4-oxopentanoic acid

3,3-dimethyl-4-oxopentanoic acid 基本信息
CAS号 23461-67-8 分子式 C7H12O3
分子量 144.16800 精确质量  144.07900
PSA  54.37000 LogP  1.07630

基本信息 展开↓

CAS号:
23461-67-8
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分子式:
C7H12O3
分子量:
144.16800
英文名称:
3,3-dimethyl-4-oxopentanoic acid
英文别名:
3,3-dimethyl-4-oxopentanoic acid;
3,3-Dimethyl-laevulinsaeure;
3,3-Dimethyl-4-oxo-pentanoic acid;
3,3-Dimethyllevulinsaeure;
3,3-dimethyl-4-oxo-valeric acid;
3,3-Dimethyl-4-oxo-valeriansaeure
精确分子量/精确质量:
144.07900
极性分子表面积/PSA:
54.37000
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:
The Key: VPFSRPKZLWVLPX-UHFFFAOYSA-N

安全信息展开↓

海关代码:
2918300090

合成路线查看所有的合成路线

  • 541-47-9

    3,3-二甲基丙烯酸

  • +

  • 75-07-0

    乙醛

  • ~55%

  • 23461-67-8

    3,3-dimethyl-4-oxopentanoic acid

  • 65371-43-9

    4,4-二甲基-5-亚甲基二氢呋喃-2(3H)-酮

  • ~54%

  • 23461-67-8

    3,3-dimethyl-4-oxopentanoic acid

  • 30434-70-9

    2,3,4,4-tetramethylcyclopent-2-en-1-one

  • 64-19-7

    乙酸

  • +

  • 23461-67-8

    3,3-dimethyl-4-oxopentanoic acid

MSDS 展开↓

    Version 1.0
    Regulation (EC) No 1907/2006

    1 - Product and Company Information

    Product Name        3,3-DIMETHYL-4-OXOVALERIC ACID - 50 MG    

    2 - Hazards Identification

    SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT
    Irritating to eyes, respiratory system and skin.

    3 - Composition/Information on Ingredients

    Product Name        CAS #        EC no        Annex I    
    Index Number
    3,3-DIMETHYL-4-OXOVALERIC ACID        23461-67-8 None        None    
    Formula        C7H12O3    
    Molecular Weight 144,1700 AMU

    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 contact, immediately wash skin with soap and copious
    amounts of water.
    AFTER EYE CONTACT
    In case of contact, immediately flush eyes with copious amounts
    of water for at least 15 minutes.
    AFTER INGESTION
    If swallowed, wash out mouth with water provided person is
    conscious. Call a physician.

    5 - Fire Fighting Measures

    EXTINGUISHING MEDIA
    Suitable: Water spray. Carbon dioxide, dry chemical powder, or
    ALDRICH        www.molbase.com    
    appropriate foam.
    SPECIAL RISKS
    Specific Hazard(s): Emits toxic fumes 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

    PROCEDURE(S) OF PERSONAL PRECAUTION(S)
    Wear respirator, chemical safety goggles, rubber boots, and
    heavy rubber gloves.
    METHODS FOR CLEANING UP
    Absorb on sand or vermiculite and place in closed containers for
    disposal. Ventilate area and wash spill site after material
    pickup is complete.

    7 - Handling and Storage

    HANDLING
    Directions for Safe Handling: Do not breathe vapor. Avoid
    contact with eyes, skin, and clothing. Avoid prolonged or
    repeated exposure.

    8 - Exposure Controls / Personal Protection

    ENGINEERING CONTROLS
    Mechanical exhaust required. Safety shower and eye bath.
    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
    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

    pH N/A
    BP/BP Range        N/A    
    MP/MP Range        N/A    
    Flash Point        N/A    
    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: 0,067
    Viscosity        N/A    
    ALDRICH        www.molbase.com    
    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

    SIGNS AND SYMPTOMS OF EXPOSURE
    To the best of our knowledge, the chemical, physical, and
    toxicological properties have not been thoroughly investigated.
    ROUTE OF EXPOSURE
    Skin Contact: Causes skin irritation.
    Skin Absorption: May be harmful if absorbed through the skin.
    Eye Contact: Causes eye irritation.
    Inhalation: Material is irritating to mucous membranes and upper
    respiratory tract. May be harmful if inhaled.
    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. Dissolve or mix the material with a combustible
    solvent and burn in a chemical incinerator equipped with an
    afterburner and scrubber. Observe all federal, state, and local
    environmental regulations.

    14 - Transport Information

    RID/ADR
    Non-hazardous for road transport.
    IMDG
    Non-hazardous for sea transport.
    IATA
    ALDRICH        www.molbase.com    
    Non-hazardous for air transport.

    15 - Regulatory Information

    CLASSIFICATION AND LABELING ACCORDING TO EU DIRECTIVES
    INDICATION OF DANGER: Xi
    Irritant.
    R-PHRASES: 36/37/38
    Irritating to eyes, respiratory system and skin.
    S-PHRASES: 26-36/37
    In case of contact with eyes, rinse immediately with plenty of
    water and seek medical advice. Wear suitable protective
    clothing and gloves.
    Caution: Substance not yet fully tested (EU).

    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
    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

海关数据查看详细

中国海关编码:2918300090

概述:
2918300090 其他含醛基或酮基不含其他含氧基羧酸(包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 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
摘要/Summary:
2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

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