625-16-1

• 常用中文名：醋酸叔戊酯
• 常用英文名：T-PENTYL ACETATE
• CAS号：625-16-1
• 分子式：C₇H₁₄O₂
• 分子量：130.18500
• 发布时间：2018-02-24 08:00:00
• 更新时间：2024-01-02 06:16:34

名称

• 中文名: 醋酸叔戊酯
• 英文名: 2-methylbutan-2-yl acetate
• 英文别名: tert-Pentyl Alcohol,acetate; tert-pentyl acetate; 2-methylbutyl 2-acetate; 1,1-Dimethylpropyl acetate; t-amyl acetate; 2-Methyl-2-butanol acetate; tert-Amyl acetate; 2-Butanol,2-methyl-,acetate; 2-methyl-2-butyl ethanoate; 2-methyl-2-butylacetate; T-PENTYL ACETATE

物化性质

• 分子式: C₇H₁₄O₂
• 分子量: 130.18500
• 精确质量: 130.09900
• PSA: 26.30000
• LogP: 1.73810
• 分子结构:

  1、 摩尔折射率：36.21

  2、 摩尔体积（cm³/mol）：147.6

  3、 等张比容（90.2K）：330.4

  4、 表面张力（dyne/cm）：25.1

  5、 极化率（10^-24cm³）：14.35

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  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26.3

  7.重原子数量:9

  8.表面电荷:0

  9.复杂度:106

  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. 性状：。

  2. 密度（g/mL,25/4℃）：

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：

  5. 沸点（ºC,常压）：

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：未确定

  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（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：。

MSDS

Version 1.0 Regulation (EC) No 1907/2006 1 - Product and Company Information Product NameTERT-AMYL ACETATE - 50 MG 2 - Hazards Identification SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT Flammable. 3 - Composition/Information on Ingredients Product NameCAS #EC noAnnex I Index Number TERT-AMYL ACETATE625-16-1 NoneNone Molecular Weight 130,1800 AMU 4 - First Aid Measures AFTER INHALATION If inhaled, remove to fresh air. If not breathing give artificial respiration. If breathing is difficult, give oxygen. AFTER SKIN CONTACT In case of skin contact, flush with copious amounts of water for at least 15 minutes. Remove contaminated clothing and shoes. Call a physician. AFTER EYE CONTACT In case of contact with eyes, flush with copious amounts of water for at least 15 minutes. Assure adequate flushing by separating the eyelids with fingers. Call a physician. AFTER INGESTION If swallowed, wash out mouth with water provided person is conscious. Call a physician immediately. 5 - Fire Fighting Measures EXTINGUISHING MEDIA ALDRICHwww.molbase.com Suitable: For small (incipient) fires, use media such as "alcohol" foam, dry chemical, or carbon dioxide. For large fires, apply water from as far as possible. Use very large quantities (flooding) of water applied as a mist or spray; solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. SPECIAL RISKS Specific Hazard(s): Flammable liquid. Emits toxic fumes under fire conditions. Explosion Hazards: Vapor may travel considerable distance to source of ignition and flash back. Container explosion may occur under fire conditions. SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS Wear self-contained breathing apparatus and protective clothing to prevent contact with skin and eyes. 6 - Accidental Release Measures PERSONAL PRECAUTION PROCEDURES TO BE FOLLOWED IN CASE OF LEAK OR SPILL Evacuate area. Shut off all sources of ignition. Use nonsparking tools. PROCEDURE(S) OF PERSONAL PRECAUTION(S) Wear self-contained breathing apparatus, rubber boots, and heavy rubber gloves. METHODS FOR CLEANING UP Cover with dry-lime, sand, or soda ash. Place in covered containers using non-sparking tools and transport outdoors. Ventilate area and wash spill site after material pickup is complete. 7 - Handling and Storage HANDLING Directions for Safe Handling: Avoid contact with eyes, skin, and clothing. Do not breathe vapor. Avoid prolonged or repeated exposure. STORAGE Conditions of Storage: Keep container closed. Keep away from heat, sparks, and open flame. 8 - Exposure Controls / Personal Protection ENGINEERING CONTROLS Safety shower and eye bath. Use nonsparking tools. Mechanical exhaust required. GENERAL HYGIENE MEASURES Wash thoroughly after handling. PERSONAL PROTECTIVE EQUIPMENT Respiratory Protection: Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). 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 ALDRICHwww.molbase.com a backup to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Hand Protection: Compatible chemical-resistant gloves. Eye Protection: Chemical safety goggles. 9 - Physical and Chemical Properties AppearancePhysical State: Liquid PropertyValueAt Temperature or Pressure pH N/A BP/BP RangeN/A MP/MP RangeN/A Flash PointN/A FlammabilityN/A Autoignition TempN/A Oxidizing Properties N/A Explosive Properties N/A Explosion LimitsN/A Vapor PressureN/A Partition Coefficient Log Kow: 2,000 ViscosityN/A Vapor DensityN/A Saturated Vapor Conc. N/A Evaporation RateN/A Bulk DensityN/A Decomposition Temp.N/A Solvent ContentN/A Water ContentN/A Surface TensionN/A ConductivityN/A Miscellaneous DataN/A SolubilityN/A 10 - Stability and Reactivity STABILITY Stable: Stable. Materials to Avoid: Strong oxidizing agents. HAZARDOUS DECOMPOSITION PRODUCTS Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide. HAZARDOUS POLYMERIZATION Hazardous Polymerization: Will not occur 11 - Toxicological Information ROUTE OF EXPOSURE Skin Contact: May cause skin irritation. Skin Absorption: May be harmful if absorbed through the skin. Eye Contact: May cause eye irritation. Inhalation: Material may be irritating to mucous membranes and upper respiratory tract. May be harmful if inhaled. Ingestion: May be harmful if swallowed. 12 - Ecological Information No data available. ALDRICHwww.molbase.com 13 - Disposal Considerations SUBSTANCE DISPOSAL Contact a licensed professional waste disposal service to dispose of this material. Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting as this material is highly flammable. Observe all federal, state, and local environmental regulations. 14 - Transport Information RID/ADR UN#: 1104 Class: 3 PG: III Proper Shipping Name: Amyl acetates IMDG UN#: 1104 Class: 3 PG: III Proper Shipping Name: Amyl acetates Marine Pollutant: No Severe Marine Pollutant: No IATA UN#: 1104 Class: 3 PG: III Proper Shipping Name: Amyl acetates Inhalation Packing Group I: No 15 - Regulatory Information CLASSIFICATION AND LABELING ACCORDING TO EU DIRECTIVES R-PHRASES: 10 Flammable. S-PHRASES: 16 Keep away from sources of ignition - no smoking. Caution: Substance not yet fully tested (EU). 16 - Other Information WARRANTY 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. Inc., shall not be held liable for any damage resulting from handling or from contact with the above product. See reverse side of invoice or packing slip for additional terms and conditions of sale. Copyright 2010 Co. License granted to make unlimitedpaper copies for internal use only. DISCLAIMER For R&D use only. Not for drug, household or other uses. ALDRICHwww.molbase.com ALDRICHwww.molbase.com 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。

安全

• 危险品运输编码: UN 1104 3.2/PG 3
• 海关编码: 2915390090

合成路线

海关

海关编码	2915390090
中文概述	2915390090. 其他乙酸酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 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
监管条件	A.入境货物通关单 B.出境货物通关单
检验检疫	R.进口食品卫生监督检验 S.出口食品卫生监督检验 M.进口商品检验 N.出口商品检验
Summary	2915390090. esters of acetic acid. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:5.5%. General tariff:30.0%