1,4-戊二烯-3-醇

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品
  • 下游产品

1,4-戊二烯-3-醇 基本信息

中文名称:
1,4-戊二烯-3-醇 
中文别名:
1,4-戊二烯-3-醇;
二乙烯基甲醇 
英文名称:
1,4-Pentadien-3-ol
英文别名:
1,4-Pentadien-3-ol;
3-Hydroxy-1,4-pentadiene;
Diethenylmethyl alcohol;
Divinylcarbinol;
Divinylmethanol 
CAS No.:
922-65-6
分 子 式:
C5H8O
分 子 量:
84.12
精确分子量:
84.05752
PSA:
20.23000
MDL:
MFCD00008633
EINECS:
213-080-9
BRN:
1735809
InChI:
InChI=1/C5H8O/c1-3-5(6)4-2/h3-6H,1-2H2
危险品标志:
风险术语:
R10;R22   
分子结构式:
SDS:
查看

1,4-戊二烯-3-醇 物化性质

外观与性状:
无色透明液体
密度:
0.865 g/mL at 25 °C(lit.)
沸点:
115-116 °C(lit.)
闪点:
86 °F
折射率:
n20/D 1.445(lit.)
存储条件/存储方法:

2-8℃,避光,通风干燥处,密封保存

稳定性相关:

常温常压下稳定

其它信息:

1.       性状:无色透明液体

2.       密度(g/mL,15):0.865

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):未确定

5.       沸点(ºC,常压):115-116

6.       折射率1.445

7.       闪点(ºC):23

8.       自燃点或引燃温度(ºC):未确定

9.       蒸气压(kPa,25ºC):9.6

10.    饱和蒸气压(kPa,60ºC):未确定

11.    燃烧热(KJ/mol): 41.3

12.    临界温度(ºC):未确定

13.    临界压力(KPa):未确定

14.    油水(辛醇/水)分配系数的对数值:未确定

15.    爆炸上限(%,V/V):未确定

16.    爆炸下限(%,V/V):未确定

17.    溶解性:未确定

1,4-戊二烯-3-醇 安全信息

包装等级:
III
风险类别:
3.2
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R10;R22
危险标志:
Xn:Harmful;

1,4-戊二烯-3-醇 毒理性

生态数据:

通常对水是不危害的,若无政府许可,勿将材料排入周围环境

1,4-戊二烯-3-醇 MSDS


Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
  Product identifiers
    Product name        : 1,4-Pentadien-3-ol    
    CAS-No.        : 922-65-6    
  Relevant identified uses of the substance or mixture and uses advised against
    Identified uses        : Laboratory chemicals, Manufacture of substances    
  
  

Section 2. HAZARDS IDENTIFICATION
  Classification of the substance or mixture
  Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
    Flammable liquids (Category 3)
    Acute toxicity, Oral (Category 4)
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    Flammable. Harmful if swallowed.
  Label elements
  Labelling according Regulation (EC) No 1272/2008 [CLP]
    Pictogram
    Signal word        Warning    
    Hazard statement(s)
    H226        Flammable liquid and vapour.    
    H302        Harmful if swallowed.    
    Precautionary statement(s) none
    Supplemental Hazard        none    
    Statements
    Contains .?. May produce an allergic reaction.
  According to European Directive 67/548/EEC as amended.
    Hazard symbol(s)
    R-phrase(s)
    R10        Flammable.    
    R22        Harmful if swallowed.    
    S-phrase(s)        none    
    Sensitising components:
    Hydroquinone
    May produce an allergic reaction.
  Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Mixtures
    Synonyms        : Divinyl carbinol    
    Formula        : C5H8O    
    Molecular Weight        : 84,12 g/mol    
    Component        Classification        Concentration    
  Penta-1,4-dien-3-ol
    CAS-No.        922-65-6        Flam. Liq. 3; Acute Tox. 4;        50 - 100 %    
    EC-No.        213-080-9        H226, H302    
    Xn, R10 - R22
  Hydroquinone
    CAS-No.        123-31-9        Acute Tox. 4; Skin Irrit. 2; Eye 0,1 - 1 %    
    EC-No.        204-617-8        Dam. 1; Skin Sens. 1; Muta. 2;    
    Index-No.        604-005-00-4        Carc. 2; Aquatic Acute 1;    
    H302, H315, H317, H318,
    H341, H351, H400
    Xn, N, Carc.Cat.3, Mut.Cat.3,
    R22 - R40 - R41 - R43 - R68 -
    R50
    For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

Section 4. FIRST AID MEASURES
  Description of first aid measures
  General advice
    Consult a physician. Show this safety data sheet to the doctor in attendance.
  If inhaled
    If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
  In case of skin contact
    Wash off with soap and plenty of water. Consult a physician.
  In case of eye contact
    Flush eyes with water as a precaution.
  If swallowed
    Do NOT induce vomiting. Never give anything by mouth to an unconscious person. Rinse mouth with
    water. Consult a physician.
  Most important symptoms and effects, both acute and delayed
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.
  Indication of any immediate medical attention and special treatment needed
    no data available

Section 5. FIREFIGHTING MEASURES
  Extinguishing media
  Suitable extinguishing media
    Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
  Special hazards arising from the substance or mixture
    Carbon oxides
  Advice for firefighters
    Wear self contained breathing apparatus for fire fighting if necessary.
  Further information
    Use water spray to cool unopened containers.

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions, protective equipment and emergency procedures
    Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation.
    Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapours accumulating to
    form explosive concentrations. Vapours can accumulate in low areas.
  Environmental precautions
    Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the
    environment must be avoided.
  Methods and materials for containment and cleaning up
    Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and
    place in container for disposal according to local regulations (see section 13).
  Reference to other sections
    For disposal see section 13.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
    Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.
    Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic
    charge.
  Conditions for safe storage, including any incompatibilities
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
    opened must be carefully resealed and kept upright to prevent leakage.
  Specific end use(s)
    no data available

Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
  Control parameters
  Components with workplace control parameters
  Exposure controls
  Appropriate engineering controls
    Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
    at the end of workday.
  Personal protective equipment
  Eye/face protection
    Face shield and safety glasses Use equipment for eye protection tested and approved under
    appropriate government standards such as NIOSH (US) or EN 166(EU).
  Skin protection
    Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
    (without touching glove's outer surface) to avoid skin contact with this product. Dispose of
    contaminated gloves after use in accordance with applicable laws and good laboratory practices.
    Wash and dry hands.
    The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
    the standard EN 374 derived from it.
  Body Protection
    Complete suit protecting against chemicals, Flame retardant antistatic protective clothing, The type
    of protective equipment must be selected according to the concentration and amount of the
    dangerous substance at the specific workplace.
  Respiratory protection
    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. Use respirators and components tested and approved under appropriate government
    standards such as NIOSH (US) or CEN (EU).

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Information on basic physical and chemical properties
    a) Appearance        Form: clear, liquid    
    Colour: colourless
    b) Odour        no data available    
    c) Odour Threshold        no data available    
    d) pH        no data available    
    e) Melting point/freezing        no data available    
    point
    f) Initial boiling point and 60 - 61 °C at 107 hPa
    boiling range
    g) Flash point        32 °C - closed cup    
    h) Evaporation rate        no data available    
    i) Flammability (solid, gas) no data available
    j) Upper/lower        no data available    
    flammability or
    explosive limits
    k) Vapour pressure        no data available    
    l) Vapour density        no data available    
    m) Relative density        0,867 g/cm3    
    n) Water solubility        no data available    
    o) Partition coefficient: n- no data available
    octanol/water
    p) Auto-ignition        no data available    
    temperature
    q) Decomposition        no data available    
    temperature
    r) Viscosity        no data available    
    s) Explosive properties        no data available    
    t) Oxidizing properties        no data available    
  Other safety information
    no data available

Section 10. STABILITY AND REACTIVITY
  Reactivity
    no data available
  Chemical stability
    no data available
    Contains the following stabiliser(s):
    Hydroquinone (0,4 %)
  Possibility of hazardous reactions
    no data available
  Conditions to avoid
    Heat, flames and sparks.
  Incompatible materials
    Strong bases, Strong oxidizing agents
  Hazardous decomposition products
    Other decomposition products - no data available

Section 11. TOXICOLOGICAL INFORMATION
  Information on toxicological effects
  Acute toxicity
    no data available
    no data available
  Skin corrosion/irritation
    no data available
    no data available
  Serious eye damage/eye irritation
    no data available
    no data available
  Respiratory or skin sensitization
    no data available
    no data available
  Germ cell mutagenicity
    no data available
    no data available
  Carcinogenicity
    IARC:        3 - Group 3: Not classifiable as to its carcinogenicity to humans (Hydroquinone)    
  Reproductive toxicity
    no data available
    no data available
  Specific target organ toxicity - single exposure
    no data available
  Specific target organ toxicity - repeated exposure
    no data available
  Aspiration hazard
    no data available
  Potential health effects
  Inhalation        May be harmful if inhaled. May cause respiratory tract irritation.    
  Ingestion        Harmful if swallowed.    
  Skin
    May be harmful if absorbed through skin. May cause skin irritation.
  Eyes        May cause eye irritation.    
  Signs and Symptoms of Exposure
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.
  Additional Information
    RTECS: Not available

Section 12. ECOLOGICAL INFORMATION
  Toxicity
    no data available
    no data available
  Persistence and degradability
    no data available
  Bioaccumulative potential
    no data available
  Mobility in soil
    no data available
  Results of PBT and vPvB assessment
    no data available
  Other adverse effects
    Toxic to aquatic life.
    no data available

Section 13. DISPOSAL CONSIDERATIONS
  Waste treatment methods
  Product
    Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting
    as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal
    company.
  Contaminated packaging
    Dispose of as unused product.

Section 14. TRANSPORT INFORMATION
  UN number
    ADR/RID: 1987        IMDG: 1987        IATA: 1987    
  UN proper shipping name
    ADR/RID: ALCOHOLS, N.O.S. (Penta-1,4-dien-3-ol)
    IMDG: ALCOHOLS, N.O.S. (Penta-1,4-dien-3-ol)
    IATA:        Alcohols, n.o.s. (Penta-1,4-dien-3-ol)    
  Transport hazard class(es)
    ADR/RID: 3        IMDG: 3        IATA: 3    
  Packaging group
    ADR/RID: III        IMDG: III        IATA: III    
  Environmental hazards
    ADR/RID: no        IMDG Marine Pollutant: no        IATA: no    
  Special precautions for user
    no data available

Section 15. REGULATORY INFORMATION
    This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
  Safety, health and environmental regulations/legislation specific for the substance or mixture
    no data available
  Chemical Safety Assessment
    no data available

Section 16. OTHER INFORMATION
  Text of H-code(s) and R-phrase(s) mentioned in Section 3
    Acute Tox.        Acute toxicity    
    Aquatic Acute        Acute aquatic toxicity    
    Carc.        Carcinogenicity    
    Eye Dam.        Serious eye damage    
    Flam. Liq.        Flammable liquids    
    H226        Flammable liquid and vapour.    
    H302        Harmful if swallowed.    
    H315        Causes skin irritation.    
    H317        May cause an allergic skin reaction.    
    H318        Causes serious eye damage.    
    H341        Suspected of causing genetic defects.    
    H351        Suspected of causing cancer.    
    H400        Very toxic to aquatic life.    
    Muta.        Germ cell mutagenicity    
    Skin Irrit.        Skin irritation    
    Skin Sens.        Skin sensitization    
    N        Dangerous for the environment    
    R10        Flammable.    
    R22        Harmful if swallowed.    
    R40        Limited evidence of a carcinogenic effect.    
    R41        Risk of serious damage to eyes.    
    Xn        Harmful    
    R43        May cause sensitization by skin contact.    
    R50        Very toxic to aquatic organisms.    
    R68        Possible risk of irreversible effects.    
  Further information
    Copyright 2012 Co. LLC. License granted to make unlimited paper copies for internal use
    only.
    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. Corporation and its Affiliates shall not be held
    liable for any damage resulting from handling or from contact with the above product. See
     and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

1,4-戊二烯-3-醇 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):1

2.氢键供体数量:1

3.氢键受体数量:1

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积20.2

7.重原子数量:6

8.表面电荷:0

9.复杂度:49

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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