六甘醇

六甘醇 基本信息
CAS号 2615-15-8 分子式 C12H26O7
分子量 282.33100 精确质量  282.16800
PSA  86.61000 LogP  -0.94600

基本信息 展开↓

CAS号:
2615-15-8
3D弹球模型:
立即前往扯扯看
分子式:
C12H26O7
分子量:
282.33100
中文名称:
六甘醇
英文名称:
hexaethylene glycol
中文别名:
六甘醇;
六乙烯二醇;
六乙二醇;
六聚乙二醇
英文别名:
hexaethylene glycol;
EINECS 220-045-1;
Polyethylene glycol 300;
hexa-PEG-diol;
PEG-6;
Hexagol;
Hexaoxyethylene glycol;
Hexaethylene Glycol;
3,6,9,12,15-Pentaoxaheptadecane-1,17-diol;
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;
hexaethyleneglycol
精确分子量/精确质量:
282.16800
极性分子表面积/PSA:
86.61000
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:
MFCD00002877
EINECS:
220-045-1
PubChem:
24855697
BRN:
1638281
InChI:
InChI=1/C2H6O2.6C2H4/c3-1-2-4;6*1-2/h3-4H,1-2H2;6*1-2H2

物化性质展开↓

密度:
1.127 g/mL at 25 °C(lit.)
熔点:
5-7 °C(lit.)
沸点:
217 °C4 mm Hg(lit.)
闪点:
>110°C
折射率:
n20/D 1.465(lit.)
蒸汽压:
0.000317mmHg at 25°C
存储条件/存储方法:

密封于阴凉干燥环境。

 

稳定性相关:

如果遵照规格使用和储存则不会分解。

 

其它信息:

1.       性状:无可用

2.       密度(g/mL,25/4℃):1.127

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):5-7

5.       沸点(ºC,常压):217

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:1.465

8.       闪点(ºC):>110

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

安全信息展开↓

海关代码:
2909499000
WGK_Germany:
2
德国有关水污染物质的分类清单
安全说明:
S23-S24/25
RTECS号:
MM3670000

合成路线查看所有的合成路线

  • 96922-86-0

    96922-86-0

  • ~99%

  • 2615-15-8

    六甘醇

  • 144270-96-2

    144270-96-2

  • ~97%

  • 2615-15-8

    六甘醇

  • 638-56-2

    双[2-(2-氯化乙氧基)乙基]醚

  • +

  • 5631-96-9

    2-(2-氯乙氧基)四氢-2H-吡喃

  • ~92%

  • 2615-15-8

    六甘醇

化学图谱

  1. 六甘醇质谱(MS)

  2. 六甘醇核磁图(13CNMR)

  3. 六甘醇Raman光谱

  4. 六甘醇红外图谱(IR1)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MM3670000
CHEMICAL NAME :
Hexaethylene glycol
CAS REGISTRY NUMBER :
2615-15-8
BEILSTEIN REFERENCE NO. :
1638281
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C12-H26-O7
MOLECULAR WEIGHT :
282.38
WISWESSER LINE NOTATION :
Q2/O2/ 5Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
AJOPAA American Journal of Ophthalmology. (Ophthalmic Pub. Co., 435 N. Michigan Ave., Suite 1415, Chicago, IL 60611) Series 3: V.1- 1918- Volume(issue)/page/year: 29,1363,1946 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
32 gm/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Gastrointestinal - other changes Kidney, Ureter, Bladder - other changes
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 23,259,1941
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
20 gm/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Gastrointestinal - other changes Kidney, Ureter, Bladder - other changes
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 23,259,1941
毒理学数据:

急性毒性:

口腔 LD50     20mg/kg(guinea pig)

                          32mg/kg(rat)

刺激眼睛 mid  500mg(rbt)

主要的刺激性影响:

在皮肤上面:可能引起发炎

在眼睛上面:可能引起发炎

致敏作用:没有已知的敏化影响。

生态数据:

 

总括注解

水危害级别1(德国规例)(通过名单进行自我评估)该物质对水有稍微危害的。

 不要让未稀释或大量的产品接触地下水、水道或污水系统。 

若无政府许可,勿将材料排入周围环境。

MSDS 展开↓


Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
  Product identifiers
    Product name        : Hexaethylene glycol    
    CAS-No.        : 2615-15-8    
  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
  Labelling according Regulation (EC) No 1272/2008 [CLP]
    Pictogram        none    
    Signal word        none    
    Hazard statement(s)        none    
    Precautionary statement(s) none
    Supplemental Hazard        none    
    Statements
    The following percentage of the mixture consists of ingredient(s) with unknown acute toxicity: 100 %
    The following percentage of the mixture consists of ingredient(s) with unknown hazards to the aquatic
    environment: 100 %
  Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substances
    Synonyms        : 3,6,9,12,15-Pentaoxaheptadecane-1,17-diol    
    Formula        : C12H26O7    
    Molecular Weight        : 282,33 g/mol    

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
  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 vapors, mist or gas.
  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
    Normal measures for preventive fire protection.
  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 uses
    no data available

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).

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Information on basic physical and chemical properties
    a) Appearance        Form: liquid, clear, viscous    
    Colour: light yellow
    b) Odour        no data available    
    c) Odour Threshold        no data available    
    d) pH        no data available    
    e) Melting point/freezing        Melting point/range: 5 - 7 °C - lit.    
    point
    f) Initial boiling point and 217 °C at 5 hPa - lit.
    boiling range
    g) Flash point        > 113,00 °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        1,127 g/mL at 25 °C    
    n) Water solubility        no data available    
    o) Partition coefficient: n- no data available
    octanol/water
    p) Autoignition        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
    no data available
  Incompatible materials
    Strong oxidizing agents
  Hazardous decomposition products
    Other decomposition products - no data available

Section 11. TOXICOLOGICAL INFORMATION
  Information on toxicological effects
  Acute toxicity
    LD50 Oral - rat - 32.000 mg/kg
    Remarks: Behavioral:Somnolence (general depressed activity). Gastrointestinal:Other changes. Kidney,
    Ureter, Bladder:Other changes.
  Skin corrosion/irritation
  Serious eye damage/eye irritation
    Eyes - rabbit - Mild eye irritation
  Respiratory or skin sensitization
    no data available
  Germ cell mutagenicity
  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
  Specific target organ toxicity - single exposure
  Specific target organ toxicity - repeated exposure
  Aspiration hazard
  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        May cause eye irritation.    
  Additional Information
    RTECS: MM3670000

Section 12. ECOLOGICAL INFORMATION
  Toxicity
    no data available
  Persistence and degradability
    no data available
  Bioaccumulative potential
  Mobility in soil
  Results of PBT and vPvB assessment
    no data available
  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
    no data available

Section 16. OTHER INFORMATION
  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.

海关数据查看详细

中国海关编码:2909499000

概述:
2909499000 其他醚醇及其卤化、磺化、硝化或亚硝化衍生物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2909499000. ether-alcohols and their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据


1、   摩尔折射率:69.43

2、   摩尔体积(cm3/mol):253.4

3、   等张比容(90.2K):641.3

4、   表面张力(dyne/cm):41.0

5、   极化率(10-24cm3):27.52

计算化学数据


1.疏水参数计算参考值(XlogP):-1.9

2.氢键供体数量:2

3.氢键受体数量:7

4.可旋转化学键数量:16

5.互变异构体数量:无

6.拓扑分子极性表面积86.6

7.重原子数量:19

8.表面电荷:0

9.复杂度:141

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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