20395-28-2

• 常用中文名：乙酸 5-氯戊酯
• 常用英文名：5-chloropentyl acetate
• CAS号：20395-28-2
• 分子式：C₇H₁₃ClO₂
• 分子量：164.63000
• 相关类别： 化学试剂 有机试剂 酯类 苯酯类化合物
• 发布时间：2018-09-21 17:55:49
• 更新时间：2024-01-02 17:58:52

名称

• 中文名: 5-氯乙酸苯酯
• 英文名: 5-chloropentyl acetate
• 中文别名: 5-氯乙酸戊酯
• 英文别名: 5-Chloropentyl acetate; acetic acid-(5-chloro-pentyl ester); 5-Chloro-1-amyl acetate; 1-acetoxy-5-chloro-pentane; 5-Chloro-1-pentyl acetate; 5-Chloro-n-amyl acetate; 5-Chloro-1-acetoxypentane; EINECS 243-784-1; 1-Pentanol,5-chloro-,acetate; 5-Chloro-1-pentanol acetate; 5-acetoxypentyl chloride; MFCD00013696

物化性质

• 密度: 1.061 g/mL at 25 °C(lit.)
• 沸点: 96-98 °C11 mm Hg(lit.)
• 分子式: C₇H₁₃ClO₂
• 分子量: 164.63000
• 闪点: 207 °F
• 精确质量: 164.06000
• PSA: 26.30000
• LogP: 1.95860
• 外观性状: 透明无色液体
• 蒸汽压: 0.243mmHg at 25°C
• 折射率: n20/D 1.438(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:

  如果遵照规格使用和储存则不会分解

  避免接触氧化物
• 分子结构:

  1、 摩尔折射率：41.10

  2、 摩尔体积(m³/mol)：158.9

  3、 等张比容(90.2K)：373.8

  4、 表面张力(dyne/cm)：30.5

  5、 极化率(10-24cm³)：16.29

• 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:6

  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:10

  8.表面电荷:0

  9.复杂度:93.6

  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：无色液体

  2.密度（g/mL,25/4℃）：1.061

  3.相对蒸汽密度（g/mL,空气=1）：未确定

  4.熔点（ºC）：未确定

  5.沸点（ºC,常压）：96-98

  6.沸点（ºC,5.2kPa）：未确定

  7.折射率：1.438

  8.闪点（ºC）：207

  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：未确定

MSDS

Name: 5-CHLOROPENTYL ACETATE 98% Material Safety Data Sheet Synonym: CAS: 20395-28-2 Section 1 - Chemical Product MSDS Name:5-CHLOROPENTYL ACETATE 98% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 20395-28-2 5-CHLOROPENTYL ACETATE, 98% 98% 243-784-1 Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. Inhalation: May cause respiratory tract irritation. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 20395-28-2: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Liquid Color: colorless Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: 207 deg F ( 97.22 deg C) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: Molecular Weight: Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 20395-28-2 unlisted. LD50/LC50: Not available. Carcinogenicity: 5-CHLOROPENTYL ACETATE, 98% - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 20395-28-2: No information available. Canada CAS# 20395-28-2 is listed on Canada's NDSL List. CAS# 20395-28-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 20395-28-2 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 对水是稍微危害的，若无政府许可，勿将材料排入周围环境。

安全

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): 23/24/25
• 安全声明 (欧洲): S24/25
• 危险品运输编码: 2810
• WGK德国: 3
• 包装等级: III
• 海关编码: 2915390090

合成路线

142-68-7 ~% 20395-28-2

文献：US4005125 A1, ;

142-68-7 75-36-5 ~92% 20395-28-2

文献：Suresh; Suryakiran; Rajesh; Selvam, J. Jon Paul; Srinivasulu; Venkateswarlu Synthetic Communications, 2008 , vol. 38, # 1 p. 92 - 99

142-68-7 75-36-5 ~55% 20395-28-2 431-03-8

文献：Tetrahedron, , vol. 47, # 18-19 p. 3155 - 3170

628-76-2 127-09-3 ~% 20395-28-2 6963-44-6

文献：Journal of Organic Chemistry, , vol. 52, # 11 p. 2162 - 2166

628-63-7 ~% 49633-68-3 36978-15-1 20395-28-2 详细

文献：Acta Chemica Scandinavica, Series B: Organic Chemistry and Biochemistry, , vol. 36, # 10 p. 721 - 724

628-63-7 ~% 49633-68-3 36978-15-1 20395-28-2 详细

文献：Journal of Organic Chemistry USSR (English Translation), , vol. 24, # 10 p. 1826 - 1835 Zhurnal Organicheskoi Khimii, , vol. 24, # 10 p. 2026 - 2037

6963-44-6 ~4% 20395-28-2

文献：Wilen, Samuel H.; Delguzzo, Luciano; Saferstein, Richard Tetrahedron, 1987 , vol. 43, # 21 p. 5089 - 5094

111-29-5 75-36-5 ~% 20395-28-2

文献：Journal of the Chemical Society, , p. 274

5259-98-3 75-36-5 ~% 20395-28-2

文献：Journal of the Chemical Society, , p. 348,353

上下游产品

上游产品  8
142-68-7 75-36-5 628-76-2 127-09-3
628-63-7 6963-44-6 111-29-5 5259-98-3
下游产品  10
4048-33-3 14633-28-4 20074-80-0 5259-98-3
60274-60-4 334-29-2 1613-51-0 2683-57-0
37011-86-2 27384-58-3

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%