N-Octyl 4-chloroacetoacetate

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品

N-Octyl 4-chloroacetoacetate 基本信息

中文名称:
N-Octyl 4-chloroacetoacetate 
中文别名:
N-OCTYL 4-CHLOROACETOACETATE;
octyl 4-chloro-3-oxobutanoate 
英文名称:
Butanoic acid,4-chloro-3-oxo-, octyl ester
英文别名:
Butanoic acid, 4-chloro-3-oxo-, octyl ester;
octyl 4-chloro-3-oxobutanoate;
Octyl-4-chloroacetoacetate;
4-OCA;
Butanoic acid,4-chloro-3-oxo-,octyl ester;
n-Octyl 4-chloroacetoacetate 
CAS No.:
41051-21-2
分 子 式:
C12H21ClO3
分 子 量:
248.74
精确分子量:
248.11792
PSA:
43.4 A2
InChI:
The Key: QVBGSRKQOYZMLR-UHFFFAOYSA-N
风险术语:
R36/37/38
安全术语:
S26S37/S39
分子结构式:
SDS:
查看

N-Octyl 4-chloroacetoacetate 物化性质

密度:
1.042±0.06 g/cm3
沸点:
313.5±17.0 °C
闪点:
112.1±19.9 °C
水溶解性:
Sparingly Soluble (0.30 g/L)
折射率:
1.4575-1.4595
蒸汽密度:
4.93E-4 Torr
存储条件/存储方法:

 

 密闭于阴凉干燥环境中

稳定性相关:

 

遵照规定使用和储存则不会分解。

其它信息:

1.       性状:无可用

2.       密度(g/mL,25/4):1.06

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):114-119

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:1.4575-1.4595

8.       闪点(ºC):无可用

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

N-Octyl 4-chloroacetoacetate 安全信息

海关代码:
2918300090
危险类别码:
36/37/38
安全说明:
37/39-26
危险标志:
Xi: Irritant;

N-Octyl 4-chloroacetoacetate 毒理性

生态数据:

 

该物质对环境可能有危害,对水体应给予特别注意。

N-Octyl 4-chloroacetoacetate MSDS

Name: n-Octyl 4-chloroacetoacetate tech. 85% Material Safety Data Sheet
Synonym: Octyl 4-chloro-3-oxobutanoat
CAS: 41051-21-2
Section 1 - Chemical Product   MSDS Name:n-Octyl 4-chloroacetoacetate tech. 85% Material Safety Data Sheet
Synonym:Octyl 4-chloro-3-oxobutanoat

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
41051-21-2 N-Octyl 4-chloroacetoacetate, tech. 85 85% unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
The toxicological properties of this substance have not been fully investigated.
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:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. Get medical aid if cough or other symptoms appear.
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:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower.
Exposure Limits CAS# 41051-21-2: Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear a chemical apron.
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: clear yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 114 - 119 deg C @ 760.00mm Hg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.0600g/cm3
Molecular Formula: C12H21ClO3
Molecular Weight: 248.74

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Not available.
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# 41051-21-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N-Octyl 4-chloroacetoacetate, tech. 85% - 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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 41051-21-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 41051-21-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 41051-21-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

N-Octyl 4-chloroacetoacetate 海关数据

中国海关编码:2918300090

概述:
2918300090 其他含醛基或酮基不含其他含氧基羧酸(包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

N-Octyl 4-chloroacetoacetate 分子结构与计算化学数据

分子结构数据

1   摩尔折射率:64.29

2   摩尔体积m3/mol238.6

3   等张比容(90.2K):577.8

4   表面张力dyne/cm34.3

5   极化率10-24cm325.48

计算化学数据

1.疏水参数计算参考值(XlogP):4

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:11

5.互变异构体数量:5

6.拓扑分子极性表面积43.4

7.重原子数量:16

8.表面电荷:0

9.复杂度:204

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

N-Octyl 4-chloroacetoacetate 上游产品

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