57018-52-7

• 常用中文名：1-叔丁氧基-2-丙醇
• 常用英文名：1-(tert-Butoxy)-2-propanol
• CAS号：57018-52-7
• 分子式：C₇H₁₆O₂
• 分子量：132.20100
• 发布时间：2018-08-24 20:31:47
• 更新时间：2024-01-10 23:05:13

名称

• 中文名: 1-叔丁氧基-2-丙醇
• 英文名: 1-[(2-methylpropan-2-yl)oxy]propan-2-ol
• 英文别名: Propylene glycol mono-t-butyl ether; 1-tert-butoxy-2-propanol; 1-tert-butoxy-propan-2-ol; propylene glycol-1-tert-butyl ether; MFCD00077674; Propylene glycol t-butyl ether; 1-t-butoxy-2-propanol; EINECS 406-180-0; Propylenglykol-1-tert.-butylaether; 1,2-propylene glycol 1-mono-tert-butyl ether; Propylene glycol mono-t-buthyl ether

物化性质

• 密度: 0.89g/cm3
• 沸点: 155.3ºC at 760mmHg
• 分子式: C₇H₁₆O₂
• 分子量: 132.20100
• 闪点: 49.7ºC
• 精确质量: 132.11500
• PSA: 29.46000
• LogP: 1.18230
• 外观性状: 无色液体
• 折射率: n20/D 1.413(lit.)
• 储存条件:

  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:

  遵照规定使用和储存则不会分解。

• 分子结构:

  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:

  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

• 更多:

  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

MSDS

Section1. 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 Section2. 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 wordDanger Hazard statement(s) H226Flammable liquid and vapour. H318Causes serious eye damage. Precautionary statement(s) P280Wear protective gloves/ eye protection/ face protection. P305 + P351 + P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Supplemental Hazardnone Statements According to European Directive 67/548/EEC as amended. Hazard symbol(s) R-phrase(s) R10Flammable. R41Risk of serious damage to eyes. S-phrase(s) S26In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S39Wear eye/face protection. Other hazards - none Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substances Synonyms: Propylene glycol 1-tert-butyl ether Formula: C7H16O2 Molecular Weight: 132,2 g/mol ComponentConcentration 1-tert-Butoxypropan-2-ol CAS-No.57018-52-7- EC-No.406-180-0 Index-No.603-129-00-6 Section4. 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 Section5. 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. Section6. 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. Section7. 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 Section8. 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). Section9. 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/freezingno data available point f) Initial boiling point and 143 - 145 °C - lit. boiling range g) Flash point44 °C - closed cup h) Evaporation rateno data available i) Flammability (solid, gas) no data available j) Upper/lowerno data available flammability or explosive limits k) Vapour pressureno data available l) Vapour densityno data available m) Relative density0,874 g/cm3 at 20 °C n) Water solubilityno data available o) Partition coefficient: n- no data available octanol/water p) Auto-ignitionno data available temperature q) Decompositionno data available temperature r) Viscosityno data available s) Explosive propertiesno data available t) Oxidizing propertiesno data available Other safety information no data available Section10. 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 Section11. 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 InhalationMay be harmful if inhaled. May cause respiratory tract irritation. IngestionMay be harmful if swallowed. SkinMay be harmful if absorbed through skin. May cause skin irritation. EyesCauses 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 Section12. 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 Section13. 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. Section14. TRANSPORT INFORMATION UN number ADR/RID: 1987IMDG: 1987IATA: 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: 3IMDG: 3IATA: 3 Packaging group ADR/RID: IIIIMDG: IIIIATA: III Environmental hazards ADR/RID: noIMDG Marine Pollutant: noIATA: no Special precautions for user no data available SECTION 15 - REGULATORY INFORMATION N/A SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

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 : 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

安全

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): R10
• 安全声明 (欧洲): 26-39
• 危险品运输编码: UN 1987 3/PG 3
• 包装等级: III
• 危险类别: 3.2

合成路线

64-17-5 67-63-0 75-56-9 75-65-0 ~% 详细

文献：WO2006/34997 A1, ; Page/Page column 19 ;

1343-93-7 57-55-6 115-11-7 ~% 57018-52-7

文献：EP419077 A2, ;

7580-85-0 ~% 57018-52-7

文献：Chemistry - A European Journal, , vol. 18, # 22 p. 6907 - 6914

28047-97-4 75-16-1 ~% 57018-52-7

文献：Chemistry - A European Journal, , vol. 18, # 22 p. 6907 - 6914

75-56-9 75-65-0 ~% 57018-52-7

文献：Carbohydrate Research, , vol. 106, p. 1 - 20

865-47-4 75-56-9 ~% 57018-52-7

文献：Roczniki Chemii, , vol. 48, p. 1241 - 1253

上下游产品

上游产品  10
64-17-5 67-63-0 75-56-9 75-65-0
1343-93-7 57-55-6 115-11-7 7580-85-0
28047-97-4 75-16-1
下游产品  3
28047-99-6 136579-69-6 136656-76-3