正辛基醚

  • 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
  • 表征图谱

正辛基醚 基本信息

中文名称:
正辛基醚 
中文别名:
二辛醚;
正-午基醚;
正辛基醚;
正辛醚 
英文名称:
Octane, 1,1'-oxybis-
英文别名:
1-octoxyoctane;
1-(octyloxy)octane;
Caprylic ether;
Octyl ether;
Antar;
bis(n-octyl)-ether;
dicaprylyl ether;
Ether,di-n-octyl;
Di-n-octyl ether;
dioctyl ether;
Octane,1,1'-oxybis;
n-Octyl ether 
CAS No.:
629-82-3
分 子 式:
C16H34O
分 子 量:
242.44
精确分子量:
242.26100
PSA:
9.23000
MDL:
MFCD00009563
EINECS:
211-112-6
BRN:
1748226
InChI:
InChI=1/C16H34O/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
安全术语:
S23S24/25
分子结构式:
SDS:
查看

正辛基醚 物化性质

外观与性状:
无色液体
密度:
0.806 g/mL at 25 °C(lit.)
熔点:
−7.6 °C(lit.)
沸点:
286-287 °C(lit.)
闪点:
>230 °F
折射率:
n20/D 1.433(lit.)
存储条件/存储方法:

常温常压保存。

稳定性相关:

 常温常压稳定。远离氧化物。

其它信息:

1.       液相标准热熔(J·mol-1·K-1):562.6

2.       密度(g/mL,25/4℃):0.8031

3.       相对密度(20℃,4℃):0.8064

4.       熔点(ºC):-7.6

5.       沸点(ºC,常压):286.5

6.       常温折射率(n20):1.4327 

7.       折射率:1.433

8.       闪点(ºC):110

9.     常温折射率(n25):1.4308

10.    自燃点或引燃温度(ºC):未确定

11.    蒸气压(kPa,25ºC):未确定

12.    饱和蒸气压(kPa,60ºC):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(KPa):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。

 

 

正辛基醚 安全信息

WGK_Germany:
1
德国有关水污染物质的分类清单
安全说明:
S23-S24/25
RTECS号:
RH8800000
安全标志:
S23:不要吸入蒸汽。
S24/25:防止皮肤和眼睛接触。

正辛基醚 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RH8800000
CHEMICAL NAME :
Octyl ether
CAS REGISTRY NUMBER :
629-82-3
BEILSTEIN REFERENCE NO. :
1748226
LAST UPDATED :
199710
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C16-H34-O
MOLECULAR WEIGHT :
242.50
WISWESSER LINE NOTATION :
8O8

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1183 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 67,566,1978
毒理学数据:

1、急性毒性:小鼠(静脉)LD50: 1,183mg/kg
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。

正辛基醚 MSDS


SECTION 1: Identification of the substance/mixture and of the company/undertaking
  Product identifiers
    Product name        : Dioctyl ether    
    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.        : 629-82-3    
  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
    This substance/mixture contains no components considered to be either persistent, bioaccumulative and
    toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

SECTION 3: Composition/information on ingredients
  Substances
    : Octyl ether
    Synonyms
    Formula        : C16H34O    
    Molecular weight        : 242,44 g/mol    
    CAS-No.        : 629-82-3    
    EC-No.        : 211-112-6    
    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 firefighting 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
    No special environmental precautions required.
  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.
    Storage class (TRGS 510): Combustible liquids
  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.
    Full contact
    Material: Nitrile rubber
    Minimum layer thickness: 0,4 mm
    Break through time: 480 min
    Material tested:Camatril® (KCL 730 / Z677442, Size M)
    Splash contact
    Material: Nitrile rubber
    Minimum layer thickness: 0,2 mm
    Break through time: 30 min
    Material tested:Dermatril® P (KCL 743 / Z677388, Size M)
    data source: KCL GmbH, D-36124 Eichenzell, phone +49 (0)6659 87300,     test method: EN374
    If used in solution, or mixed with other substances, and under conditions which differ from EN 374,
    contact the supplier of the CE approved gloves. This recommendation is advisory only and must
    be evaluated by an industrial hygienist and safety officer familiar with the specific situation of
    anticipated use by our customers. It should not be construed as offering an approval for any
    specific use scenario.
  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
    No special environmental precautions required.

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        Melting point/range: -7,6 °C - lit.    
    point
    f) Initial boiling point and 286 - 287 °C - lit.
    boiling range
    g) Flash point        110 °C - closed cup    
    h) Evaporation rate        No data available    
    i) Flammability (solid, gas) The product is not flammable.
    j) Upper/lower        No data available    
    flammability or
    explosive limits
    k) Vapour pressure        <= 0 hPa at 20 °C - OECD Test Guideline 104    
    l) Vapour density        No data available    
    m) Relative density        0,806 g/cm3 at 25 °C - lit.    
    n) Water solubility        0,1 g/l at 20 °C - OECD Test Guideline 105    
    o) Partition coefficient: n- log Pow: > 5,7 at 23 °C -
    octanol/water
    p) Auto-ignition        200 °C - Tested according to Directive 92/69/EEC.    
    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        56,5 mN/m at 26 °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 - male and female - > 2.000 mg/kg
    (OECD Test Guideline 401)
  Skin corrosion/irritation
    No data available
  Serious eye damage/eye irritation
    No data available
  Respiratory or skin sensitisation
    No data available
  Germ cell mutagenicity
    No data available
  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: RH8800000
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.

SECTION 12: Ecological information
  Toxicity
    Toxicity to fish        semi-static test LC50 - Danio rerio (zebra fish) - 3.200 mg/l - 96 h    
    (ISO 7346/1)
    Toxicity to daphnia and static test - Daphnia magna (Water flea) - > 100 mg/l - 48 h
    other aquatic        (OECD Test Guideline 202)    
    invertebrates
    Toxicity to algae        static test EC50 - Desmodesmus subspicatus (green algae) - 26,16 mg/l - 72 h    
    (OECD Test Guideline 201)
  Persistence and degradability
    Biodegradability        Result: 94,2 % - Readily biodegradable.    
    (OECD Test Guideline 301B)
  Bioaccumulative potential
    No data available
  Mobility in soil
    No data available
  Results of PBT and vPvB assessment
    This substance/mixture contains no components considered to be either persistent, bioaccumulative and
    toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.
  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.

正辛基醚 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:77.91

2、   摩尔体积(cm3/mol):299.0

3、   等张比容(90.2K):688.3

4、   表面张力(dyne/cm):28.0

5、   极化率(10-24cm3):30.88

计算化学数据

1.疏水参数计算参考值(XlogP):6.9

2.氢键供体数量:0

3.氢键受体数量:1

4.可旋转化学键数量:14

5.互变异构体数量:无

6.拓扑分子极性表面积9.2

7.重原子数量:17

8.表面电荷:0

9.复杂度:109

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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