1,2,4-Benzenetricarboxylicacid, 1,2,4-trihexyl ester
- 中文别名：偏苯三酸三正己酯
- 中文释义：偏苯三酸三正己酯;偏苯三酸三(正)己酯
- 英文别名：TRI-N-HEXYLTRIMELLITATE;
Tri-n-hexyl trimellitate;
trihexyl trimellitate;
trihexyl benzene-1,2,4-tricarboxylate;
TRIHEXYL 1,2,4-BENZENETRICARBOXYLATE;
TRIMELLITIC ACID TRIHEXYL ESTER;
Trimellitsaeure-trihexylester;
tri-n-hexyl trimellitate;
1,2,4-benzenetricarboxylicacid,trihexylester
- CAS No.：1528-49-0
- 分子式：
C27H42O6
- 分子量：462.62
- 精确分子量：462.29800
- PSA：78.90000
- InChI：InChI=1/C27H42O6/c1-4-7-10-13-18-31-25(28)22-16-17-23(26(29)32-19-14-11-8-5-2)24(21-22)27(30)33-20-15-12-9-6-3/h16-17,21H,4-15,18-20H2,1-3H3
- 分子结构式：
物化性质
- 密度：
- 1.026g/cm3
- 熔点：
- -46ºC
- 沸点：
- 260-262ºC (4 mmHg)
- 闪点：
- 219.9ºC
- 折射率：
- n20/D 1.487(lit.)
- 蒸汽压：
- 3.57E-11mmHg at 25°C
- 存储条件/存储方法：
密封储存，储存于阴凉、干燥的库房。
- 稳定性相关：
常温常压下稳定，对湿空气敏感。
偏苯三酸三正己酯 安全信息
- 海关代码：
- 2917399090
- 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
- 密度：
- 1.026g/cm3
- 熔点：
- -46ºC
- 沸点：
- 260-262ºC (4 mmHg)
- 闪点：
- 219.9ºC
- 折射率：
- n20/D 1.487(lit.)
- 蒸汽压：
- 3.57E-11mmHg at 25°C
- 存储条件/存储方法：
密封储存，储存于阴凉、干燥的库房。
- 稳定性相关：
常温常压下稳定，对湿空气敏感。
偏苯三酸三正己酯 安全信息
- 海关代码：
- 2917399090
- 安全说明：
- S24/25
- 安全标志：
- S24/25:防止皮肤和眼睛接触。
MSDS
| Name: | Tri-n-hexyltrimellitate Material Safety Data Sheet |
| Synonym: | Trihexyl 1,2,4-benzenetricarboxylate |
| CAS: | 1528-49-0 |
Section 1 - Chemical ProductMSDS Name: Tri-n-hexyltrimellitate Material Safety Data Sheet
Synonym: Trihexyl 1,2,4-benzenetricarboxylate SECTION 2 - COMPOSITION, INFORMATION ON INGREDIENTS | CAS# | Chemical Name | content | EINECS# |
| 1528-49-0 | Tri-n-hexyltrimellitate | | 216-208-1 |
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. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
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.
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.
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:
Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 1528-49-0: 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: Viscous liquid
Color: Not available.
Odor: characteristic odor
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 260 - 262 deg C @4mmHg
Freezing/Melting Point: -46 deg C
Autoignition Temperature: Not available.
Flash Point: 268 deg C ( 514.40 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Insoluble.
Specific Gravity/Density: 1.015
Molecular Formula: C27H42O6
Molecular Weight: 462.63 SECTION 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable. Moisture sensitive.
Conditions to Avoid:
Incompatible materials, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur. SECTION 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 1528-49-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Tri-n-hexyltrimellitate - 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# 1528-49-0: No information available. Canada CAS# 1528-49-0 is listed on Canada's NDSL List. CAS# 1528-49-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1528-49-0 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION
MSDS Creation Date: 10/08/2004 Revision #0 Date: Original. The information above is believed to be accurate and represents the best information currently available to us. However, we make no warranty of merchantability or any other warranty, express or implied, with respect to such information, and we assume no liability resulting from its use. Users should make their own investigations to determine the suitability of the information for their particular purposes. In no way shall the company be liable for any claims, losses, or damages of any third party or for lost profits or any special, indirect, incidental, consequential or exemplary damages, howsoever arising, even if the company has been advised of the possibility of such damages.
SECTION 16 - ADDITIONAL INFORMATION
N/A
海关数据
中国海关编码：2917399090
- 概述：
- 2917399090 其他芳香多元羧酸. 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, 对苯二甲酸请注明4-CBA值, 对苯二甲酸请注明P-TL酸值, 对苯二甲酸请注明色度, 对苯二甲酸请注明水分
- 摘要/Summary：
- 2917399090 aromatic polycarboxylic acids, 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%
分子结构与计算化学数据
计算化学数据
1、 疏水参数计算参考值（XlogP）：8.5
2、 氢键供体数量：0
3、 氢键受体数量：6
4、 可旋转化学键数量：21
5、 互变异构体数量：
6、 拓扑分子极性表面积（TPSA）：78.9
7、 重原子数量：33
8、 表面电荷：0
9、 复杂度：547
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
