2,4,6-三甲基苄胺

2,4,6-三甲基苄胺 基本信息
CAS号 40393-99-5 分子式 C10H15N
分子量 149.23300 精确质量 　149.12000
PSA 　26.02000 LogP 　2.77080
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目录
基本信息 物化性质 安全信息 合成路线 毒性 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
40393-99-5
3D弹球模型：
立即前往扯扯看
分子式：
C10H15N
分子量：
149.23300
中文名称：
2,4,6-三甲基苄胺
英文名称：
2,4,6-Trimethylbenzylamine
中文别名：
2,4,6-三甲基苄胺;
1,10-Phenanthroline, 2,9-dimethyl-4,7-di(phenylsulfonic acid)-, disodium salt;
2,9-Dimethyl-4,7-di(4-sulfophenyl)-1,10-phenanthroline, disodium salt;
Benzenesulfonic acid, 4,4'-(2,9-dimethyl-1,10-phenanthroline-4,7-diyl)bis-, disodium salt;
disodium 4,4'-(2,9-dimethyl-1,10-phenanthroline-4,7-diyl)bis(benzenesulphonate);
disodium 4,4'-(2,9-dimethyl-1,10-phenanthroline-4,7-diyl)dibenzenesulfonate;
2,9-Dimethyl-4,7-bis[4-(sodiosulfo)phenyl]-1,10-phenanthroline;
4,4'-(2,9-Dimethyl-1,10-phenanthroline-4,7-diyl)bis(benzenesulfonic acid)disodium salt;
BHCOUP-Si-69;
Bis[γ-(triethoxysilyl-propyl]-tetrasulfide;
Bis[3-(triethoxysilyl)propyl]tetrasulfide;
4,4,15,15-tetraethoxy-3,16-dioxa-8,9,10,11-tetrathia-4,15-disilaoctadecane;
Bis(3-triethoxysilylpropyl)tetrasulfide;
Bis-[3-(triethoxysilylpropyl)]-tetrasulfide;
Silane coupler KH-858;
硅烷偶联剂CG-Si69;
双(γ-三乙氧基硅基丙基)四硫化物
英文别名：
2,4,6-Trimethylbenzylamine;
(2,4,6-trimethylphenyl)methanamine;
Mesitylmethanamine
精确分子量/精确质量：
149.12000
极性分子表面积/PSA：
26.02000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
InChI：
InChI=1/C10H15N/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5H,6,11H2,1-3H3/p+1

物化性质展开↓

外观与性状：
透明黄色液体
密度：
0.943 g/cm3
沸点：
246.5ºC at 760 mmHg
闪点：
102.4ºC
折射率：
1.536-1.538
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℃）：无可用

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）：无可用

6.       沸点（ºC,5.2kPa）：无可用

7.       折射率：1.536-1.538

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

安全信息展开↓

海关代码：
2921199090
危险类别码：
R34
安全说明：
S26-S36/37/39-S45
安全标志：
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
:
危险标志：
C:Corrosive;

合成路线查看所有的合成路线

  • 1585-16-6

    2,4,6-三甲基氯苄

  • →

    ~60%

  • 40393-99-5

    2,4,6-三甲基苄胺

  • 108-67-8

    均三甲苯

  • →

  • 40393-99-5

    2,4,6-三甲基苄胺

  • 64489-90-3

    2-[(2,4,6-trimethylphenyl)methyl]isoindole-1,3-dione

  • +

  • 108-24-7

    乙酸酐

  • →

  • 40393-99-5

    2,4,6-三甲基苄胺

毒理性展开↓

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。

MSDS 展开↓

Name: 2 4 6-Trimethylbenzylamine Material Safety Data Sheet
Synonym: None Known
CAS: 40393-99-5
Section 1 - Chemical Product   MSDS Name:2 4 6-Trimethylbenzylamine Material Safety Data Sheet
Synonym:None Known
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
40393-99-5 2,4,6-Trimethylbenzylamine ca. 100 unlisted
Hazard Symbols: C
Risk Phrases: 34
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Causes burns.Corrosive.
Potential Health Effects
Eye:
Causes eye burns. May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin burns. May cause skin rash (in milder cases), and cold and clammy skin with cyanosis or pale color.
Ingestion:
May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. May cause perforation of the digestive tract. May cause systemic effects.
Inhalation:
Causes chemical burns to the respiratory tract. Aspiration may lead to pulmonary edema. May cause systemic effects.
Chronic:
Effects may be delayed.
Section 4 - FIRST AID MEASURES
  Eyes: Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes).
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
Notes to Physician:
Treat symptomatically and supportively.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution.
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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.
Section 7 - HANDLING and STORAGE
  Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Use only in a chemical fume hood. Discard contaminated shoes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Corrosives 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 ventilation to keep airborne concentrations low.
Exposure Limits CAS# 40393-99-5: 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:
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: Not available.
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: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10H15N
Molecular Weight: 149.24
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not currently available.
Conditions to Avoid:
None reported.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 40393-99-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,4,6-Trimethylbenzylamine - Not listed by ACGIH, IARC, or NTP.
Section 12 - ECOLOGICAL INFORMATION
  Ecotoxicity:
Fish: Pseudomonas putida:
Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.
Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: Amines, liquid, corrosive, n.o.s.*
Hazard Class: 8
UN Number: 2735
Packing Group: III
IMO
Shipping Name: Amines, liquid, corrosive, n.o.s.
Hazard Class: 8
UN Number: 2735
Packing Group: III
RID/ADR
Shipping Name: Amines, Liquid, Corrosive, N.O.S.
Hazard Class: 8
UN Number: 2735
Packing group:
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 40393-99-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 40393-99-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 40393-99-5 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码：2921199090

概述：
2921199090 其他无环单胺及其衍生物及其盐。监管条件:无。增值税率:17.0%。退税率:9.0%。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：
2921199090 other acyclic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据

1、   摩尔折射率： 49.17

2、   摩尔体积（m3/mol）：158.2

3、   等张比容（90.2K）：386.0

4、   表面张力（dyne/cm）：35.4

5、   极化率（10-24cm3）：19.49

计算化学数据

1.疏水参数计算参考值（XlogP）:1.9

2.氢键供体数量:1

3.氢键受体数量:1

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积26

7.重原子数量:11

8.表面电荷:0

9.复杂度:110

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

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