季戊四醇丙氧基化物

季戊四醇丙氧基化物 基本信息
CAS号 9051-49-4 分子式 C22H48O12
分子量 504.60900 精确质量  504.31500
PSA  198.76000 LogP  -2.48920

基本信息 展开↓

CAS号:
9051-49-4
分子式:
C22H48O12
分子量:
504.60900
中文名称:
季戊四醇丙氧基化物
英文名称:
3-{3-(3-Hydroxypropoxy)-2,2-bis[(3-hydroxypropoxy)methyl]propoxy} -1-propanol - 2,2-bis(hydroxymethyl)-1,3-propanediol (1:1)
中文别名:
季戊四醇丙氧基化物;
2,2-双(羟甲基)-1,3-丙二醇与α-氢-ω-羟基聚[氧代(甲基-1,2-乙二基)]的醚(4:1);
2,2-双(羟甲基)-1,3-丙二醇与Α-氢-Ω-羟基聚[氧代(甲基-1,2-乙二基)]的醚
英文别名:
3-{3-(3-Hydroxypropoxy)-2,2-bis[(3-hydroxypropoxy)methyl]propoxy} -1-propanol - 2,2-bis(hydroxymethyl)-1,3-propanediol (1:1);
bis(hydroxymethyl)-1,3-propanediol(4:1);
pentaerythritolpropoxylate(5/4po/oh);
Poly[oxy(methyl-1,2-ethanediyl)],.alpha.-hydro-.omega.-hydroxy-,etherwith2,2-bis(hydroxymethyl)-1,3-propanediol(4:1);
PENTAERYTHRITOL PROPOXYLATE;
PENTAERYTHRITOL PROPOXYLATE (17/8 PO/OH) , AVERAGE MN CA. 629;
PENTAERYTHRITOL PROPOXYLATE (5/4 PO/OH), AVERAGE MN CA. 426;
Polyoxy(methyl-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with 2,2-bis(hydroxymethyl)-1,3-propanediol (4:1);
pentaerythritol propoxylate (17/8 po/oh)
精确分子量/精确质量:
504.31500
极性分子表面积/PSA:
198.76000
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。
贝尔斯坦号/MDL:
MFCD00197885
PubChem:
24866239

物化性质展开↓

沸点:
534.2ºC at 760mmHg
闪点:
276.9ºC
折射率:
n20/D 1.464
存储条件/存储方法:

密闭,阴凉干燥处保存

稳定性相关:

如果遵照规格使用和储存则不会分解,未有已知危险发生

避免强氧化剂

其它信息:

1.       性状:液体

2.       密度(g/mL at 25°C1.05

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):>300

6.       沸点(ºC,0.76mmHg):未确定

7.       折射率(n20/D):1.46

8.       闪点(ºC):>113

9.       比旋光度(º):未确定

10.    自燃点或引燃温度(ºC):未确定

11.    蒸气压(mmHg,20ºC):未确定

12.    饱和蒸气压(kPa,114.4 ºC):未确定

13.    燃烧热(KJ/mol):未确定

14.    临界温度(ºC):未确定

15.    临界压力(MPa):未确定

16.    油水(辛醇/水)分配系数的对数值:未确定

17.    爆炸上限(%,V/V):未确定

18.    爆炸下限(%,V/V):未确定

19.    溶解性:未确定

安全信息展开↓

WGK_Germany:
3
德国有关水污染物质的分类清单

MSDS 展开↓


SECTION 1: Identification of the substance/mixture and of the company/undertaking
  Product identifiers
    Product name        : Pentaerythritol propoxylate (5/4 PO/OH)    
    REACH No.        : A registration number is not available for this substance as the substance    
    or its uses are exempted from registration, the annual tonnage does not
    require a registration or the registration is envisaged for a later
    registration deadline.
    CAS-No.        : 9051-49-4    
  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
    Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
    This substance is not classified as dangerous according to Directive 67/548/EEC.
  Label elements
    The product does not need to be labelled in accordance with EC directives or respective national laws.
  Other hazards - none

SECTION 3: Composition/information on ingredients
  Substances
    Synonyms        : Pentaerythritol propoxylate (5/4 PO/OH)    
    Formula        : C8H20O6    
    CAS-No.        : 9051-49-4    
    EC-No.        : 500-030-9    
    No components need to be disclosed according to the applicable regulations.

SECTION 4: First aid measures
  Description of first aid measures
  If inhaled
    If breathed in, move person into fresh air. If not breathing, give artificial respiration.
  In case of skin contact
    Wash off with soap and plenty of water.
  In case of eye contact
    Flush eyes with water as a precaution.
  If swallowed
    Never give anything by mouth to an unconscious person. Rinse mouth with water.
  Most important symptoms and effects, both acute and delayed
    The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
    section 11
  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
    no data available

SECTION 6: Accidental release measures
  Personal precautions, protective equipment and emergency procedures
    Avoid breathing vapours, mist or gas.
    For personal protection see section 8.
  Environmental precautions
    Do not let product enter drains.
  Methods and materials for containment and cleaning up
    Keep in suitable, closed containers for disposal.
  Reference to other sections
    For disposal see section 13.

SECTION 7: Handling and storage
  Precautions for safe handling
    For precautions see section 2.2.
  Conditions for safe storage, including any incompatibilities
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
  Specific end use(s)
    Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
  Control parameters
  Components with workplace control parameters
  Exposure controls
  Appropriate engineering controls
    General industrial hygiene practice.
  Personal protective equipment
  Eye/face protection
    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
    impervious 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
    Respiratory protection not required. For nuisance exposures use type OV/AG (US) or type ABEK
    (EU EN 14387) respirator cartridges. Use respirators and components tested and approved under
    appropriate government standards such as NIOSH (US) or CEN (EU).
  Control of environmental exposure
    Do not let product enter drains.

SECTION 9: Physical and chemical properties
  Information on basic physical and chemical properties
    a) Appearance        Form: liquid    
    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 > 300 °C
    boiling range
    g) Flash point        192 °C - closed cup    
    h) Evapouration 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        1,05 g/mL at 25 °C    
    n) Water solubility        completely miscible    
    o) Partition coefficient: n- log Pow: 0,3 - 1,3 at 23 °C
    octanol/water
    p) Auto-ignition        365 °C    
    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
    Surface tension        37,35 mN/m at 20 °C    

SECTION 10: Stability and reactivity
  Reactivity
    no data available
  Chemical stability
    Stable under recommended storage conditions.
  Possibility of hazardous reactions
    no data available
  Conditions to avoid
    no data available
  Incompatible materials
    Strong oxidizing agents
  Hazardous decomposition products
    Other decomposition products - no data available
    In the event of fire: see section 5

SECTION 11: Toxicological information
  Information on toxicological effects
  Acute toxicity
    LD50 Oral - rat - female - > 2.500 mg/kg
    (OECD Test Guideline 423)
    LD50 Dermal - rat - male and female - > 2.000 mg/kg
    (OECD Test Guideline 402)
  Skin corrosion/irritation
    Skin - rabbit
    Result: No skin irritation - 4 h
    (OECD Test Guideline 404)
  Serious eye damage/eye irritation
    Eyes - rabbit
    Result: No eye irritation - 24 h
    (OECD Test Guideline 405)
  Respiratory or skin sensitisation
    in vivo assay - mouse
    Result: Does not cause skin sensitisation.
    (OECD Test Guideline 429)
  Germ cell mutagenicity
    Ames test
    S. typhimurium
    Result: negative
  Carcinogenicity
    IARC:        No component of this product present at levels greater than or equal to 0.1% is identified as    
    probable, possible or confirmed human carcinogen by IARC.
  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
  Additional Information
    RTECS: Not available

SECTION 12: Ecological information
  Toxicity
    Toxicity to fish        static test LC0 - Danio rerio (zebra fish) - >= 100 mg/l - 96 h    
    (OECD Test Guideline 203)
    Toxicity to daphnia and static test EC50 - Daphnia magna (Water flea) - > 100 mg/l - 48 h
    other aquatic        (OECD Test Guideline 202)    
    invertebrates
    Toxicity to algae        static test EC0 - Desmodesmus subspicatus (Scenedesmus subspicatus) - >=    
    100 mg/l - 72 h
    (OECD Test Guideline 201)
    Toxicity to bacteria        Respiration inhibition EC50 - Sludge Treatment - > 10.000 mg/l - 3 h    
    (OECD Test Guideline 209)
  Persistence and degradability
    Biodegradability        aerobic - Exposure time 28 d    
    Result: 51 % - Not readily biodegradable.
    (Directive 67/548/EEC Annex V, C.4.D.)
  Bioaccumulative potential
    no data available
  Mobility in soil
    no data available
  Results of PBT and vPvB assessment
    PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
  Other adverse effects
    no data available

SECTION 13: Disposal considerations
  Waste treatment methods
  Product
    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: -        IMDG: -        IATA: -    
  UN proper shipping name
    ADR/RID: Not dangerous goods
    IMDG: Not dangerous goods
    IATA:        Not dangerous goods    
  Transport hazard class(es)
    ADR/RID: -        IMDG: -        IATA: -    
  Packaging group
    ADR/RID: -        IMDG: -        IATA: -    
  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
    For this product a chemical safety assessment was not carried out

SECTION 16: Other information
  Further information
    Copyright 2014 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.

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:8

3.氢键受体数量:12

4.可旋转化学键数量:24

5.互变异构体数量:无

6.拓扑分子极性表面积199

7.重原子数量:34

8.表面电荷:0

9.复杂度:263

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:2

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