1-叔丁氧基-2-丙醇

  • 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-叔丁氧基-2-丙醇 基本信息

中文名称:
1-叔丁氧基-2-丙醇 
中文别名:
1-叔丁氧基-2-丙醇;
丙二醇叔丁醚;
1-(1,1-二甲基乙氧基)-2-丙醇;
丙二醇单叔丁醚;
O-2,6-Dichloro-p-tolyl O,O-dimethyl phosphorothioate;
Phosphorothioic acid, O-(2,6-dichloro-4-methylphenyl) O,O-dimethyl ester;
Risolex;
Rizolex;
S-3349;
Toclofos-methyl;
O-(2,6-Dichloro-p-tolyl) O,O-dimethyl thiophosphate;
Phosphorothioic acid, O-(2,6-dichloro-p-tolyl) O,O-dimethyl ester;
Toloclfos methyl;
Tolclofos-Methyl;
FOY;
FOY-S 983;
Gabexate monomethanesulfonate;
Gabexatum [INN-Lati 
英文名称:
2-Propanol,1-(1,1-dimethylethoxy)-
英文别名:
2-Propanol, 1-(1,1-dimethylethoxy)-;
1-[(2-methylpropan-2-yl)oxy]propan-2-ol;
propylene glycol-1-tert-butyl ether;
1-t-butoxy-2-propanol;
Propylene glycol mono-t-buthyl ether;
Propylene glycol mono-t-butyl ether;
Propylenglykol-1-tert.-butylaether;
1-tert-butoxy-2-propanol;
Propylene glycol t-butyl ether;
1,2-propylene glycol 1-mono-tert-butyl ether;
1-tert-butoxy-propan-2-ol 
CAS No.:
57018-52-7
分 子 式:
C7H16O2
分 子 量:
132.20
精确分子量:
132.11503
PSA:
29.5 A2
MDL:
MFCD00077674
EINECS:
406-180-0
BRN:
1734501
InChI:
InChI=1/C8H18O.C3H8O2/c1-7(2,3)9-8(4,5)6;1-3(5)2-4/h1-6H3;3-5H,2H2,1H3
风险术语:
10-41
分子结构式:
SDS:
查看

1-叔丁氧基-2-丙醇 物化性质

外观与性状:
无色液体
密度:
0.890±0.06 g/cm3
沸点:
155.3±8.0 °C
闪点:
49.7±7.7 °C
水溶解性:
Soluble (58 g/L)
折射率:
n20/D 1.413(lit.)
蒸汽密度:
1.11 Torr
存储条件/存储方法:

 

保持贮藏器密封

放入紧密的贮藏器内,储存在阴凉,干燥的地方

稳定性相关:

 

遵照规定使用和储存则不会分解。

其它信息:

1.       性状:无色液体

2.       密度(g/mL,25/4):0.874

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):无可用

5.       沸点(ºC,常压):143-145

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:1.413

8.       闪点(ºC):44

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V):无可用

19.    溶解性:无可用

1-叔丁氧基-2-丙醇 安全信息

包装等级:
III
风险类别:
3.2
危险类别码:
R10
安全说明:
26-39
危险标志:
Xi

1-叔丁氧基-2-丙醇 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UB3772000
CHEMICAL NAME :
Propanol, (1,1-dimethylethoxy)-
CAS REGISTRY NUMBER :
57018-52-7
BEILSTEIN REFERENCE NO. :
1734501
LAST UPDATED :
199712
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C7-H16-O2
MOLECULAR WEIGHT :
132.23
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-叔丁氧基-2-丙醇 MSDS


Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
  Product identifiers
    Product name        : 1-tert-Butoxy-2-propanol    
    CAS-No.        : 57018-52-7    
  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)
    Serious eye damage (Category 1)
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    Flammable. Risk of serious damage to eyes.
  Label elements
  Labelling according Regulation (EC) No 1272/2008 [CLP]
    Pictogram
    Signal word        Danger    
    Hazard statement(s)
    H226        Flammable liquid and vapour.    
    H318        Causes serious eye damage.    
    Precautionary statement(s)
    P280        Wear protective gloves/ eye protection/ face protection.    
    P305 + P351 + P338        IF IN EYES: Rinse cautiously with water for several minutes. Remove    
    contact lenses, if present and easy to do. Continue rinsing.
    Supplemental Hazard        none    
    Statements
  According to European Directive 67/548/EEC as amended.
    Hazard symbol(s)
    R-phrase(s)
    R10        Flammable.    
    R41        Risk of serious damage to eyes.    
    S-phrase(s)
    S26        In case of contact with eyes, rinse immediately with plenty of water and    
    seek medical advice.
    S39        Wear eye/face protection.    
  Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substances
    Synonyms        : Propylene glycol 1-tert-butyl ether    
    Formula        : C7H16O2    
    Molecular Weight        : 132,2 g/mol    
    Component        Concentration    
  1-tert-Butoxypropan-2-ol
    CAS-No.        57018-52-7        -    
    EC-No.        406-180-0    
    Index-No.        603-129-00-6    

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
    Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
  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
    Dizziness, Cough, Difficulty in breathing, 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.
  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 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.
    Air and moisture sensitive. Store under inert gas.
  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
    Tightly fitting safety goggles. Faceshield (8-inch minimum). 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 143 - 145 °C - lit.
    boiling range
    g) Flash point        44 °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        0,874 g/cm3 at 20 °C    
    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
  Possibility of hazardous reactions
    no data available
  Conditions to avoid
    Avoid moisture.
    Heat, flames and sparks.
  Incompatible materials
    Strong acids, 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
  Skin corrosion/irritation
    no data available
  Serious eye damage/eye irritation
    no data available
  Respiratory or skin sensitization
    no data available
  Germ cell mutagenicity
    no data available
  Carcinogenicity
    IARC:        3 - Group 3: Not classifiable as to its carcinogenicity to humans (1-tert-Butoxypropan-2-ol)    
  Reproductive toxicity
    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        May be harmful if swallowed.    
  Skin        May be harmful if absorbed through skin. May cause skin irritation.    
  Eyes        Causes eye burns.    
  Signs and Symptoms of Exposure
    Dizziness, Cough, Difficulty in breathing, To the best of our knowledge, the chemical, physical, and
    toxicological properties have not been thoroughly investigated.
  Additional Information
    RTECS: UB3772000

Section 12. ECOLOGICAL INFORMATION
  Toxicity
    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
    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. (1-tert-Butoxypropan-2-ol)
    IMDG: ALCOHOLS, N.O.S. (1-tert-Butoxypropan-2-ol)
    IATA:        Alcohols, n.o.s. (1-tert-Butoxypropan-2-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
N/A


SECTION 16 - ADDITIONAL INFORMATION
N/A

1-叔丁氧基-2-丙醇 分子结构与计算化学数据

分子结构数据

1、   疏水参数计算参考值(XlogP):0.8

2、   氢键供体数量:1

3、   氢键受体数量:2

4、   可旋转化学键数量:3

5、   拓扑分子极性表面积(TPSA):29.5

6、   重原子数量:9

7、   表面电荷:0

8、   复杂度:73.5

9、   同位素原子数量:0

10、   确定原子立构中心数量:0

11、   不确定原子立构中心数量:1

12、   确定化学键立构中心数量:0

13、   不确定化学键立构中心数量:0

14、   共价键单元数量:1

计算化学数据

1.疏水参数计算参考值(XlogP):0.8

2.氢键供体数量:1

3.氢键受体数量:2

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积29.5

7.重原子数量:9

8.表面电荷:0

9.复杂度:73.5

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:1

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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