1-乙基-2,4,5-三甲基苯 | 17851-27-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-乙基-2,4,5-三甲基苯
• 英文名称: 1-ethyl-2,4,5-trimethylbenzene
• CAS: 17851-27-3
• 化学式: C₁₁H₁₆
• 分子量: 148.248
• InChiKey: IYFUQKGDILUVJG-UHFFFAOYSA-N

物化性质

• 熔点：
  -13.5°C
• 沸点：
  213°C
• 密度：
  0.8790
• 保留指数：
  1173;1173

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 海关编码：
  2902909090

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : 1-ETHYL-2,4,5-TRIMETHYLBENZENE
CAS-No. : 17851-27-3
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Skin irritation (Category 2)
Serious eye damage (Category 1)
Specific target organ toxicity - single exposure (Category 3)
Chronic aquatic toxicity (Category 4)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Irritating to respiratory system and skin. Risk of serious damage to eyes.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Danger
Hazard statement(s)
H315 Causes skin irritation.
H318 Causes serious eye damage.
H335 May cause respiratory irritation.
H413 May cause long lasting harmful effects to aquatic life.
Precautionary statement(s)
P261 Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P280 Wear protective gloves/ eye protection/ face protection.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R37/38 Irritating to respiratory system and skin.
R41 Risk of serious damage to eyes.
S-phrase(s)
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S39 Wear eye/face protection.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C11H16
Molecular Weight : 148,25 g/mol
Component Concentration
1-ETHYL-2,4,5-TRIMETHYLBENZENE
CAS-No. 17851-27-3 -

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Section 4. FIRST AID MEASURES
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly
investigated.
Indication of any immediate medical attention and special treatment needed
no data available

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Section 5. FIRE-FIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation.
Evacuate personnel to safe areas.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the
environment must be avoided.
Methods and materials for containment and cleaning up
Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
Specific end uses
no data available

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Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at
the end of workday.
Personal protective equipment
Eye/face protection
Tightly fitting safety goggles. Faceshield (8-inch minimum). Use equipment for eye protection tested
and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the
standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator with
multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup to
engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
respirator. Use respirators and components tested and approved under appropriate government
standards such as NIOSH (US) or CEN (EU).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: liquid
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- log Pow: 4,349
octanol/water
p) Autoignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

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Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
Specific target organ toxicity - single exposure
May cause respiratory irritation.
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. Causes respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. Causes skin irritation.
Eyes Causes eye burns.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly
investigated.
Additional Information
RTECS: Not available

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Section 12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available

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Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.

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Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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SECTION 15 - REGULATORY INFORMATION
N/A

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1-乙基-2,4,5-三甲基苯 在 硫酸 作用下， 生成 1,3-二甲基-4-乙基苯
  参考文献：
  名称：

  The Jacobsen Reaction. VI.¹ Ethyltrimethylbenzenes

  摘要：

  DOI：

  10.1021/ja01874a002
• 作为产物：
  描述：

  1,2,4-三甲基-5-乙烯基苯 在 乙醇 、 sodium 作用下， 生成 1-乙基-2,4,5-三甲基苯
  参考文献：
  名称：

  Klages; Keil, Chemische Berichte, 1903, vol. 36, p. 1635

  摘要：

  DOI：

文献信息

• SELECTIVE REDUCTION WITH LITHIUM ALUMINUM HYDRIDE/DIPHOSPHORUS TETRAIODIDE. A MILD CONVERSION OF AROMATIC KETONES TO PARENT HYDROCARBONS
  作者：Hitomi Suzuki、Reiko Masuda、Hirohisa Kubota、Atsuhiro Osuka

  DOI：10.1246/cl.1983.909

  日期：1983.6.5

  Treatment of aromatic ketones with the title reagent in boiling benzene gives parent hydrocarbons in good to moderate yields.

  在沸腾的苯中用标题试剂处理芳族酮得到良好至中等产率的母体烃。
• Catalytic Reductions Without External Hydrogen Gas: Broad Scope Hydrogenations with Tetrahydroxydiboron and a Tertiary Amine
  作者：Kirill A. Korvinson、Hari K. Akula、Casina T. Malinchak、Dellamol Sebastian、Wei Wei、Tashrique A. Khandaker、Magdalena R. Andrzejewska、Barbara Zajc、Mahesh K. Lakshman

  DOI：10.1002/adsc.201901099

  日期：2020.1.7

  Facile reduction of aryl halides with a combination of 5% Pd/C, B2(OH)4, and 4‐methylmorpholine is reported. Aryl bromides, iodides, and chlorides were efficiently reduced. Aryl dihalides containing two different halogen atoms underwent selective reduction: I over Br and Cl, and Br over Cl. Beyond these, aryl triflates were efficiently reduced. This combination was broadly general, effectuating reductions

  据报道，结合5％Pd / C，B 2（OH）4和4-甲基吗啉可轻松还原芳基卤化物。有效地还原了芳基溴化物，碘化物和氯化物。含有两个不同卤素原子的芳基二卤化物经过选择性还原：I在Br和Cl之上，Br在Cl之上。除此之外，芳基三氟甲磺酸酯被有效还原。这种组合广泛适用，可实现苄基卤化物和醚，烯烃，炔烃，醛和叠氮化物的还原反应，以及N- Cbz脱保护反应的还原。氰基基团不受影响，但是硝基基团和酮还原程度低。当B 2（OD）4如果将其用于芳基卤化物的还原，则会发生大量的氘化。但是，氢原子的引入竞争并在较慢的反应中增加。4-甲基吗啉被认为是其中H原子的可能来源，但仅将4-甲基吗啉和Pd / C结合不会导致还原。已经观察到氢气与该试剂结合物形成。旨在了解化学反应的实验提出了一个合理的机制，并鉴定了N，N-双（甲基-d 3）吡啶-4-胺（DMAP- d 6）和B 2（OD）4作为有效的组合，使芳烃完全氘化。
• Syntheses of Diiodo and Triiodo Derivatives of 1,2,3-Trimethylbenzene (<i>Hemimellitene</i>) and 1,2,4-Trimethylbenzene (<i>Pseudocumene</i>). A Convenient Use of Polyiodo Derivatives for the Characterization of Polyalkylbenzenes and Their Derivatives
  作者：Hitomi Suzuki、Yasuhiro Haruta

  DOI：10.1246/bcsj.46.589

  日期：1973.2

  A complete set of diiodo and triiodo derivatives of 1,2,3-trimethylbenzene and 1,2,4-trimethylbenzene has been prepared and their physical properties are recorded. Use of polyiodo derivatives as a means for characterizing polyalkylbenzenes and their derivatives has been proposed.

  制备了一套完整的1,2,3-三甲基苯和1,2,4-三甲基苯的二碘和三碘衍生物并记录了它们的物理性质。已经提出使用多碘衍生物作为表征多烷基苯及其衍生物的手段。
• Sedimentary evidence for a diaromatic carotenoid with an unprecedented aromatic substitution pattern
  作者：Walter A. Hartgers、Jaap S. Sinninghe Damsté、Martin P. Koopmans、Jan W. de Leeuw

  DOI：10.1039/c39930001715

  日期：——

  A novel diaryl isoprenoid (C40H66), possessing a 3,4,5-/2,3,6-trimethyl aromatic substitution pattern, which is attributed to a presently unknown strain of photosynthetic green sulfur bacteria, has been identified in a carbonaceous sedimentary rock.

  在碳质沉积岩中发现了一种新型二芳基异戊二烯 (C40H66)，具有 3,4,5-/2,3,6-三甲基芳香族取代模式，归因于目前未知的光合绿色硫细菌菌株。
• v. Auwers, Justus Liebigs Annalen der Chemie, 1919, vol. 419, p. 111
  作者：v. Auwers

  DOI：——

  日期：——

表征谱图