邻乙基甲苯

  • 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
  • 表征图谱

邻乙基甲苯 基本信息

中文名称:
邻乙基甲苯 
中文别名:
2-乙基甲苯;
1-甲基-2-乙基苯;
邻甲乙苯;
邻乙基甲苯;
间甲乙苯;
3-乙基甲苯;
1-乙基-2-甲基苯 
英文名称:
Benzene,1-ethyl-2-methyl-
英文别名:
1-ethyl-2-methylbenzene;
1-Ethyl-2-methylbenzene;
2-Ethyltoluene 
CAS No.:
611-14-3
分 子 式:

C9H12

分 子 量:
120.19
精确分子量:
120.09400
PSA:
0.00000
MDL:
MFCD00009257
EINECS:
210-255-1
BRN:
1851237
InChI:
InChI=1/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
危险品标志:

风险术语:

R10;

安全术语:

S16;

分子结构式:
SDS:
查看

邻乙基甲苯 制备方法及用途

制备方法

1. 烟草:OR,57。

合成制备方法

1. 烟草:OR,57。

用途简介

邻乙基甲苯 物化性质

外观与性状:
透明无色至略黄色液体
密度:
0.887 g/mL at 25 °C(lit.)
熔点:
−17 °C(lit.)
沸点:
164-165 °C(lit.)
闪点:
103 °F
折射率:
n20/D 1.505(lit.)
存储条件/存储方法:

贮存:

将密器密封,储存密封的主藏器内,并放在阴凉, 干爽的位置。

稳定性相关:

性质与稳定性:

1. 常温常压下,或不分解产物。

2. 存在于香料烟烟叶、烟气中。

其它信息:

一、物性数据

1.沸点:165.18℃ 。
2.熔点:-80.80℃。

3.相对密度(20℃,4℃):0.8806

4.相对密度(25℃,4℃):0.8766

5.常温折射率(n20D) :1.5046

6.常温折射率(n25):1.5021

7.溶度参数(J·cm-3)0.5:18.013

8.van der Waals面积(cm2·mol-1):1.019×1010

9.van der Waals体积(cm3·mol-1):80.890

10.液相标准燃烧热(焓)(kJ·mol-1):-5210.17

11.液相标准声称热(焓)( kJ·mol-1):-46.40

12.液相标准热熔(J·mol-1·K-1):218.7

13.气相标准燃烧热(焓)(kJ·mol-1):-5257.87

14.气相标准声称热(焓)( kJ·mol-1) :1.30

15.气相标准熵(J·mol-1·K-1) :399.24

16.气相标准生成自由能( kJ·mol-1):131.25

17.气相标准热熔(J·mol-1·K-1):152.80

18.闪点(ºC):39

邻乙基甲苯 安全信息

包装等级:
III
风险类别:
3
海关代码:
2902909090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R10;R65
安全说明:
S62
RTECS号:
XT2500000
安全标志:
S62:如果不慎吞咽,不要催吐;立刻找医生诊治并出示产品容器或标签。
危险标志:
Xn:Harmful;

邻乙基甲苯 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XT2500000
CHEMICAL NAME :
Toluene, o-ethyl-
CAS REGISTRY NUMBER :
611-14-3
BEILSTEIN REFERENCE NO. :
1851237
LAST UPDATED :
199710
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C9-H12
MOLECULAR WEIGHT :
120.21
WISWESSER LINE NOTATION :
2R B1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
28ZRAQ "Toxicology and Biochemistry of Aromatic Hydrocarbons," Gerarde, H., New York, Elsevier, 1960 Volume(issue)/page/year: -,57,1960
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
54 gm/m3/4H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,69,1982
TYPE OF TEST :
LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
50 gm/kg/2H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,69,1982 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - T2000 No. of Facilities: 13 (estimated) No. of Industries: 2 No. of Occupations: 2 No. of Employees: 279 (estimated)
生态数据:

三、生态学数据:

1、其它有害作用:该物质对环境可能有危害,对水体应给予特别注意。

邻乙基甲苯 MSDS

Name: o-Ethyltoluene 99% Material Safety Data Sheet
Synonym: 1-Methyl-2-ethylbenzene; 1-Ethyl-2-methylbenzene; 2-Ethyltoluene; o-Ethyltoluene
CAS: 611-14-3
Section 1 - Chemical Product   MSDS Name:o-Ethyltoluene 99% Material Safety Data Sheet
Synonym:1-Methyl-2-ethylbenzene; 1-Ethyl-2-methylbenzene; 2-Ethyltoluene; o-Ethyltoluene

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
611-14-3 o-Ethyltoluene 99 210-255-1
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. Aspiration may lead to pulmonary edema. Vapors may cause dizziness or suffocation. May cause burning sensation in the chest.
Chronic:
Effects may be delayed.

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. Wash clothing before reuse.
Ingestion:
Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid.
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. Do NOT use mouth-to-mouth resuscitation.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Water may be ineffective.
Material is lighter than water and a fire may be spread by the use of water. Flammable liquid and vapor. Vapors are heavier than air and may travel to a source of ignition and flash back. Vapors can spread along the ground and collect in low or confined areas.
Extinguishing Media:
For small fires, use dry chemical, carbon dioxide, water spray or alcohol-resistant foam. For large fires, use water spray, fog, or alcohol-resistant foam. Water may be ineffective. Do NOT use straight streams of water.

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. 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. 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 container tightly closed. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Use only with adequate ventilation. Keep away from heat, sparks and flame. Avoid breathing vapor or mist.
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. 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# 611-14-3: 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: Liquid
Color: clear very slight yellow
Odor: Toluene-like
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 164 - 165 deg C
Freezing/Melting Point: -17 deg C
Autoignition Temperature: 440 deg C ( 824.00 deg F)
Flash Point: 39 deg C ( 102.20 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Insoluble.
Specific Gravity/Density: .8800 g/cm3
Molecular Formula: C9H12
Molecular Weight: 120.19

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Ignition sources, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 611-14-3: XT2500000 LD50/LC50:
CAS# 611-14-3: Inhalation, mouse: LC50 = 54000 mg/m3/4H.
Carcinogenicity:
o-Ethyltoluene - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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: FLAMMABLE LIQUID, N.O.S.*
Hazard Class: 3
UN Number: 1993
Packing Group: III
IMO
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3.3
UN Number: 1993
Packing Group: III
RID/ADR
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3
UN Number: 1993
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 16 Keep away from sources of ignition - No
smoking.
WGK (Water Danger/Protection)
CAS# 611-14-3: No information available.
Canada
CAS# 611-14-3 is listed on Canada's DSL List.
CAS# 611-14-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 611-14-3 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

邻乙基甲苯 海关数据

中国海关编码:2902909090

概述:
2902909090. 其他芳香烃. 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:2.0%. 普通关税:30.0%
申报要素:
品名, 成分含量
摘要/Summary:
2902909090 other aromatic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%

邻乙基甲苯 分子结构与计算化学数据

分子结构数据

五、分子性质数据:

1、   摩尔折射率:40.62

2、   摩尔体积(cm3/mol):138.5

3、   等张比容(90.2K):321.5

4、   表面张力(dyne/cm):29.0

5、 极化率(10-24cm3):16.10

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:0

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0

7.重原子数量:9

8.表面电荷:0

9.复杂度:76.1

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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