629-82-3

• 常用中文名：正-午基醚
• 常用英文名：dioctyl ether
• CAS号：629-82-3
• 分子式：C₁₆H₃₄O
• 分子量：242.44100
• 相关类别： 化学试剂 有机试剂 醚类
• 发布时间：2018-03-21 08:00:00
• 更新时间：2024-01-06 17:24:21
• 【用途一】
  分析用标准品。

名称

• 中文名: 二辛醚
• 英文名: 1-octoxyoctane
• 中文别名: 正-午基醚; 正辛基醚; 正辛醚
• 英文别名: 1-(octyloxy)octane; bis(n-octyl)-ether; Caprylic ether; n-Octyl ether; dicaprylyl ether; Di-n-octyl ether; Octyl ether; Ether,di-n-octyl; dioctyl ether; MFCD00009563; Octane,1,1'-oxybis; Antar; EINECS 211-112-6

物化性质

• 密度: 0.806 g/mL at 25 °C(lit.)
• 沸点: 286-287 °C(lit.)
• 熔点: −7.6 °C(lit.)
• 分子式: C₁₆H₃₄O
• 分子量: 242.44100
• 闪点: >230 °F
• 精确质量: 242.26100
• PSA: 9.23000
• LogP: 5.72400
• 外观性状: 无色液体
• 折射率: n20/D 1.433(lit.)
• 储存条件:

  常温常压保存。

• 稳定性:

  常温常压稳定。远离氧化物。

• 分子结构:

  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:

  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

• 更多:

  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。

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) AppearanceForm: clear, liquid Colour: colourless b) OdourNo data available c) Odour ThresholdNo data available d) pHNo data available e) Melting point/freezingMelting point/range: -7,6 °C - lit. point f) Initial boiling point and 286 - 287 °C - lit. boiling range g) Flash point110 °C - closed cup h) Evaporation rateNo data available i) Flammability (solid, gas) The product is not flammable. j) Upper/lowerNo data available flammability or explosive limits k) Vapour pressure<= 0 hPa at 20 °C - OECD Test Guideline 104 l) Vapour densityNo data available m) Relative density0,806 g/cm3 at 25 °C - lit. n) Water solubility0,1 g/l at 20 °C - OECD Test Guideline 105 o) Partition coefficient: n- log Pow: > 5,7 at 23 °C - octanol/water p) Auto-ignition200 °C - Tested according to Directive 92/69/EEC. temperature q) DecompositionNo data available temperature r) ViscosityNo data available s) Explosive propertiesNo data available t) Oxidizing propertiesNo data available Other safety information Surface tension56,5 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 fishsemi-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 algaestatic test EC50 - Desmodesmus subspicatus (green algae) - 26,16 mg/l - 72 h (OECD Test Guideline 201) Persistence and degradability BiodegradabilityResult: 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: noIMDG Marine pollutant: noIATA: 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.

毒性和生态

毒理学数据: 1、急性毒性：小鼠（静脉）LD50： 1,183mg/kg 由于食盐的LD50是3,000 mg/kg，BPA的急性毒性程度与食盐同。 生态学数据: 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。 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

安全

• 个人防护装备: Eyeshields;Gloves;half-mask respirator (US);multi-purpose combination respirator cartridge (US)
• 安全声明 (欧洲): S23-S24/25
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 1
• RTECS号: RH8800000

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