1-Pentanol, 5-chloro-,1-acetate
- 中文别名：5-氯乙酸苯酯
- 中文释义：5-氯乙酸苯酯;5-氯乙酸戊酯
- 英文别名：5-CHLOROPENTYL ACETATE;
5-Chloro-1-amyl acetate;
5-Chloro-1-acetoxypentane;
5-Chloro-n-amyl acetate;
1-Pentanol,5-chloro-,acetate;
5-Chloro-1-pentyl acetate;
5-Chloro-1-pentanol acetate;
5-Chloropentyl acetate;
1-acetoxy-5-chloro-pentane;
5-acetoxypentyl chloride;
acetic acid-(5-chloro-pentyl ester)
- CAS No.：20395-28-2
- 分子式：
C7H13ClO2
- 分子量：164.53
- 精确分子量：164.06000
- PSA：26.30000
- MDL：MFCD00013696
- InChI：InChI=1/C7H13ClO2/c1-7(9)10-6-4-2-3-5-8/h2-6H2,1H3
- 分子结构式：
物化性质
- 外观与性状：
- 透明无色液体
- 密度：
- 1.061 g/mL at 25 °C(lit.)
- 沸点：
- 96-98 °C11 mm Hg(lit.)
- 闪点：
- 207 °F
- 折射率：
- n20/D 1.438(lit.)
- 蒸汽压：
- 0.243mmHg at 25°C
- 存储条件/存储方法：
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
- 稳定性相关：
如果遵照规格使用和储存则不会分解
避免接触氧化物- 其它信息：
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
5-氯乙酸苯酯 安全信息
- 包装等级：
- III
- 海关代码：
- 2915390090
- WGK_Germany：
- 3
德国有关水污染物质的分类清单 - 危险类别码：
- 23/24/25
- 安全说明：
- S24/25
- 安全标志：
- S24/25:防止皮肤和眼睛接触。
安全信息
- 外观与性状：
- 透明无色液体
- 密度：
- 1.061 g/mL at 25 °C(lit.)
- 沸点：
- 96-98 °C11 mm Hg(lit.)
- 闪点：
- 207 °F
- 折射率：
- n20/D 1.438(lit.)
- 蒸汽压：
- 0.243mmHg at 25°C
- 存储条件/存储方法：
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
- 稳定性相关：
如果遵照规格使用和储存则不会分解
避免接触氧化物- 其它信息：
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
5-氯乙酸苯酯 安全信息
- 包装等级：
- III
- 海关代码：
- 2915390090
- WGK_Germany：
- 3
德国有关水污染物质的分类清单 - 危险类别码：
- 23/24/25
- 安全说明：
- S24/25
- 安全标志：
- S24/25:防止皮肤和眼睛接触。
毒理性
- 生态数据：
对水是稍微危害的，若无政府许可，勿将材料排入周围环境。
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
海关数据
中国海关编码：2915390090
- 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
- 摘要/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%
分子结构与计算化学数据
分子结构数据
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
计算化学数据
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
