乙醛-D1

乙醛-D1 基本信息
CAS号 4122-13-8 分子式 C2H3DO
分子量 45.05870 精确质量  45.03250
PSA  17.07000 LogP  0.20520

基本信息 展开↓

CAS号:
4122-13-8
3D弹球模型:
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分子式:
C2H3DO
分子量:
45.05870
中文名称:
乙醛-D1
英文名称:
1-deuterioethanone
中文别名:
乙醛-D1;
乙醛-D1氘代内标
英文别名:
1-deuterioethanone;
CH3CDO;
Acetaldehyde-1-d;
deuteriated acetaldehyde;
EINECS 223-921-1;
acetaldehyde-d1;
acetaldehyde-1-d1
精确分子量/精确质量:
45.03250
极性分子表面积/PSA:
17.07000
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:
223-921-1
InChI:
The Key: IKHGUXGNUITLKF-VMNATFBRSA-N

物化性质展开↓

密度:
0.765g/cm3
沸点:
18.6ºC at 760 mmHg
折射率:
1.314

合成路线查看所有的合成路线

  • 1859-09-2

    乙醇-1,1-d2

  • 1664-98-8

    甲醛-d2

  • +

  • 4122-13-8

    乙醛-D1

  • +

  • 34557-54-5

    methane

  • +

  • 676-49-3

    甲烷-d1

  • +

  • 6755-54-0

    1,1-dideuterioethene

  • 77081-36-8

    3-Cyclohexyl-1-(2,2-dideuterio-2-chloroethyl)-1-nitrosourea

  • 4122-13-8

    乙醛-D1

  • +

  • 6745-37-5

    2-chloro-1,1-dideuterio-ethene

  • +

  • 61596-07-4

    1,1-dideuterio-1,2-dichloroethane

  • +

  • 77081-39-1

    2-chloro-2,2-dideuterioethanol

  • +

  • 77081-40-4

    [1,1-(2)H2]-2-Chloroethanol

  • +

  • 108-91-8

    环己胺

  • 77081-38-0

    2-(Cyclohexylimino)-5,5-dideuterio-3-nitrosooxazolidine

  • 4122-13-8

    乙醛-D1

  • +

  • 77081-35-7

    2-(Cyclohexylamino)-5,5-dideuterio-3-oxazoline

  • +

  • 77081-44-8

    1,1-Dideuterio-2-hydroxyethyl Cyclohexylcarbamate

  • +

  • 108-91-8

    环己胺

MSDS 展开↓

    Version 1.2
    Regulation (EC) No 1907/2006

    1 - Product and Company Information

    Product Name        ACET(ALDEHYDE-D) 98+ ATOM % D    

    2 - Hazards Identification

    SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT
    May cause cancer. May cause heritable genetic damage. Extremely
    flammable. Harmful by inhalation, in contact with skin and if
    swallowed. Irritating to eyes, respiratory system and skin.

    3 - Composition/Information on Ingredients

    Product Name        CAS #        EC no        Annex I    
    Index Number
    ACET(ALDEHYDE-D) 98+ ATOM % D        4122-13-8 223-921-1 None    
    Formula        C2H3DO    
    Molecular Weight 45,0600 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 INGESTION
    If swallowed, wash out mouth with water provided person is
    conscious. Call a physician.

    5 - Fire Fighting Measures

    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.
    SIGMA        www.molbase.com    
    SPECIAL RISKS
    Specific Hazard(s): Extremely flammable. Vapor may travel
    considerable distance to source of ignition and flash back.
    Explosion Hazards: Vapor may travel considerable distance to
    source of ignition and flash back.
    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
    Shut off all sources of ignition. Evacuate area.
    METHODS FOR CLEANING UP
    Cover with an activated carbon adsorbent, take up and place in
    closed containers. Transport outdoors.

    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.
    STORAGE
    Conditions of Storage: Keep tightly closed. Keep away from heat
    and open flame. Store under nitrogen.
    Unsuitable: Forms explosive peroxides on prolonged storage
    Store at -20°C
    SPECIAL REQUIREMENTS: May develop pressure. Open carefully. Air
    sensitive.

    8 - Exposure Controls / Personal Protection

    ENGINEERING CONTROLS
    Use only in a chemical fume hood. Safety shower and eye bath.
    GENERAL HYGIENE MEASURES
    Wash contaminated clothing before reuse. Wash thoroughly after
    handling.
    PERSONAL PROTECTIVE EQUIPMENT
    Special Protective Measures: Wear appropriate government approved
    respirator, chemical-resistant gloves, safety goggles, other
    protective clothing.

    9 - Physical and Chemical Properties

    pH N/A
    BP/BP Range        20,000. - 21,000 °C.760,000 mmHg    
    MP/MP Range        N/A    
    Flash Point        - 27,000 °C.        Method: closed cup    
    Flammability        N/A    
    Autoignition Temp        N/A    
    Oxidizing Properties        N/A    
    Explosive Properties        N/A    
    SIGMA        www.molbase.com    
    Explosion Limits        N/A    
    Vapor Pressure        707,256000000 mmHg 20,00 °C    
    SG/Density        0,8060 g/cm3    
    Partition Coefficient N/A
    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
    Conditions of Instability: May decompose on exposure to air.
    Materials to Avoid: Strong acids, Oxidizing agents, Reducing
    agents, Strong bases.
    HAZARDOUS DECOMPOSITION PRODUCTS
    Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide.

    11 - Toxicological Information

    SENSITIZATION
    Sensitization: May cause allergic reaction.
    SIGNS AND SYMPTOMS OF EXPOSURE
    Pulmonary edema. Effects may be delayed. Dermatitis. Nausea,
    headache, and vomiting. Exposure can cause: Symptoms of exposure
    may include burning sensation, coughing, wheezing, laryngitis,
    shortness of breath, headache, nausea, and vomiting.
    ROUTE OF EXPOSURE
    Eye Contact: Causes severe eye irritation.
    Inhalation: Material is irritating to mucous membranes and upper
    respiratory tract.
    Multiple Routes: Harmful if swallowed, inhaled, or absorbed
    through skin.
    TARGET ORGAN INFORMATION
    Central nervous system. Blood. Lungs. Kidneys. Liver.
    CHRONIC EXPOSURE - CARCINOGEN
    Result: Carcinogen.
    CHRONIC EXPOSURE - REPRODUCTIVE HAZARD
    Result: Overexposure may cause reproductive disorder(s) based on
    tests with laboratory animals.

    12 - Ecological Information

    No data available.

    13 - Disposal Considerations
    SIGMA        www.molbase.com    

    SUBSTANCE DISPOSAL
    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#: 1089
    Class: 3
    PG: I
    Proper Shipping Name: Acetaldehyde
    IMDG
    UN#: 1089
    Class: 3
    PG: I
    Proper Shipping Name: Acetaldehyde
    Marine Pollutant: No
    Severe Marine Pollutant: No
    IATA
    UN#: 1089
    Class: 3
    PG: I
    Proper Shipping Name: Acetaldehyde
    Inhalation Packing Group I: No

    15 - Regulatory Information

    CLASSIFICATION AND LABELING ACCORDING TO EU DIRECTIVES
    INDICATION OF DANGER: F+-T
    Extremely Flammable. Toxic.
    R-PHRASES: 45-46-12-20/21/22-36/37/38
    May cause cancer. May cause heritable genetic damage. Extremely
    flammable. Harmful by inhalation, in contact with skin and if
    swallowed. Irritating to eyes, respiratory system and skin.
    S-PHRASES: 53-16-26-36/37/39-45
    Avoid exposure - obtain special instructions before use. Keep
    away from sources of ignition - no smoking. In case of contact
    with eyes, rinse immediately with plenty of water and seek
    medical advice. Wear suitable protective clothing, gloves, and
    eye/face protection. In case of accident or if you feel unwell,
    seek medical advice immediately (show the label where possible).
    COUNTRY SPECIFIC INFORMATION
    Germany
    WGK: 3
    Self-Classification

    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
    SIGMA        www.molbase.com    
    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.
    SIGMA        www.molbase.com    


SECTION 16 - ADDITIONAL INFORMATION
N/A

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