2,2,6-三甲基环己酮

  • 基本信息
  • 制备方法及用途
  • 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
  • 下游产品

2,2,6-三甲基环己酮 基本信息

中文名称:
2,2,6-三甲基环己酮 
中文别名:
2,2,6-三甲基环己酮;
2,2,6-三甲基环庚烷 
英文名称:
2,2,6-trimethylcyclohexanone
英文别名:
2,2,6-TRIMETHYLCYCLOHEXANONE;
2,2,6,6-TETRAMETHYL-4-PIPERIDONE;
2,2,6-Trimethylcyclohexan-1-one;
2 2 6-TRIMETHYLCYCLOHEXANONE;
Cyclohexanone,2,2,6-trimethyl;
2,2,6-trimethyl-cyclohexanon;
1,1,3-Trimethyl-2-cyclohexanone;
2,2,6-trimethyl-1-cyclohexanone;
FEMA 3473;
2,6,6-Dimethylcyclohexanone;
2,6,6-trimethyl-cyclohexan-1-one;
2,6,6-trimethyl-cyclohexanone 
CAS No.:
2408-37-9
分 子 式:

C9H16O

分 子 量:
140.23
精确分子量:
140.12000
PSA:
17.07000
MDL:
MFCD00045550
EINECS:
219-309-9
BRN:
1905593
InChI:
InChI=1/C9H16O/c1-7-5-4-6-9(2,3)8(7)10/h7H,4-6H2,1-3H3/t7-/m1/s1
危险品标志:

 

风险术语:

R10

安全术语:
S23;S24/25
分子结构式:
SDS:
查看

2,2,6-三甲基环己酮 制备方法及用途

制备方法

1. 烟草:OR,26;FC,18。

合成制备方法

1. 烟草:OR,26;FC,18。

用途简介

2,2,6-三甲基环己酮 物化性质

密度:
0.904 g/mL at 25 °C(lit.)
沸点:
178-179 °C(lit.)
闪点:
125 °F
折射率:
n20/D 1.447(lit.)
蒸汽压:
0.986mmHg at 25°C
存储条件/存储方法:

保持容器密封,放入紧密的出藏器内,储存在阴凉,干燥的地方

稳定性相关:

1. 避免氧化物接触。

2. 存在于烤烟烟叶、香料烟烟叶、主流烟气中。

其它信息:

1.      性状:无色液体

2.      密度(g/mL,20ºC):0.904

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):-31.8

5.      沸点(ºC,常压):178-179

6.      沸点(ºC 3mmHg):未确定

7.      折射率(nD20):1.447

8.      闪点(ºC):51.6

9.      比旋光度(,):未确定

10.   自燃点或引燃温度(ºC):51

11.   蒸气压(Pa,50ºC):未确定

12.   饱和蒸气压(kPa,20ºC):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

2,2,6-三甲基环己酮 安全信息

包装等级:
III
风险类别:
3
海关代码:
2914299000
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
10
安全说明:
S23-S24/25
安全标志:
S23:不要吸入蒸汽。
S24/25:防止皮肤和眼睛接触。

2,2,6-三甲基环己酮 毒理性

生态数据:

对水是稍微有害的,不要让未稀释或大量的产品接触地下水,水道或者污水系统,若无政府许可,勿将材料排入周围环境

2,2,6-三甲基环己酮 MSDS

Name: 2 2 6-Trimethylcyclohexanone 98.5+% (GC) Material Safety Data Sheet
Synonym: 2,2,6-Trimethylcyclohexan-1-one; Cyclohexanone, 2,2,6-trimethyl-; Trimethylcyclohexanon
CAS: 2408-37-9
Section 1 - Chemical Product   MSDS Name:2 2 6-Trimethylcyclohexanone 98.5+% (GC) Material Safety Data Sheet
Synonym:2,2,6-Trimethylcyclohexan-1-one; Cyclohexanone, 2,2,6-trimethyl-; Trimethylcyclohexanon

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
2408-37-9 2,2,6-Trimethylcyclohexanone (GC) 98.5+ 219-309-9
Hazard Symbols: None Listed.
Risk Phrases: 10

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Flammable.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. May cause chemical conjunctivitis and corneal damage.
Skin:
May cause irritation and dermatitis. May cause cyanosis of the extremities.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated. Ingestion of large amounts may cause CNS depression.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Aspiration may lead to pulmonary edema. Vapors may cause dizziness or suffocation.
May cause burning sensation in the chest.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
  Eyes: Immediately 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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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. Vapors may form an explosive mixture with air.
Vapors can travel to a source of ignition and flash back. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Will burn if involved in a fire. Use water spray to keep fire-exposed containers cool. Containers may explode in the heat of a fire. Flammable liquid and vapor. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
Use water spray to cool fire-exposed containers. Water may be ineffective. Use agent most appropriate to extinguish fire. Do NOT use straight streams of water. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Cover with sand, dry lime or soda ash and place in a closed container for disposal. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation. A vapor suppressing foam may be used to reduce vapors.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use only in a well-ventilated area. Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep away from heat, sparks and flame.
Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from heat, sparks, and flame. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area.

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. Use adequate general or local explosion-proof ventilation to keep airborne levels to acceptable levels.
Exposure Limits CAS# 2408-37-9: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Clear liquid
Color: clear, colorless
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 61.0 - 62.0 deg C @ 15.00mm H
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: 51 deg C ( 123.80 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: .9040g/cm3
Molecular Formula: C19H16O
Molecular Weight: 260.33

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, ignition sources, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong reducing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 2408-37-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,2,6-Trimethylcyclohexanone (GC) - 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
Shipping Name: KETONES, LIQUID, N.O.S.*
Hazard Class: 3
UN Number: 1224
Packing Group: III
IMO
Shipping Name: KETONES, LIQUID, N.O.S.
Hazard Class: 3.3
UN Number: 1224
Packing Group: III
RID/ADR
Shipping Name: KETONES, N.O.S.
Hazard Class: 3
UN Number: 1224
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
R 10 Flammable.
Safety Phrases:
S 9 Keep container in a well-ventilated place.
S 16 Keep away from sources of ignition - No
smoking.
WGK (Water Danger/Protection)
CAS# 2408-37-9: No information available.
Canada
CAS# 2408-37-9 is listed on Canada's DSL List.
CAS# 2408-37-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2408-37-9 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

2,2,6-三甲基环己酮 海关数据

中国海关编码:2914299000

概述:
2914299000. 其他不含其他含氧基的环烷酮、环烯酮或环萜烯酮. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 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, 丙酮报明包装
摘要/Summary:
2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

2,2,6-三甲基环己酮 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:41.83

2、   摩尔体积(cm3/mol):161.3

3、   等张比容(90.2K):360.3

4、   表面张力(dyne/cm):24.8

5、   极化率(10-24cm3):16.58

计算化学数据

1.疏水参数计算参考值(XlogP):2.4

2.氢键供体数量:0

3.氢键受体数量:1

4.可旋转化学键数量:0

5.互变异构体数量:2

6.拓扑分子极性表面积17.1

7.重原子数量:10

8.表面电荷:0

9.复杂度:147

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

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