1-甲基-3,5-二(丙-2-基)苯 | 3055-14-9

• 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-甲基-3,5-二(丙-2-基)苯
• 英文名称: 1-methyl-3,5-diisopropyl benzene
• 英文别名: 1,3-diisopropyl-5-methyl-benzene；3,5-diisopropyltoluene；1,3-Diisopropyl-5-methyl-benzol；1-methyl-3,5-bis(1-methylethyl)-benzene；1,3-diisopropyl-5-methylbenzene；1-methyl-3,5-diisopropylbenzene；Benzene, 1-methyl-3,5-bis(1-methylethyl)-；1-methyl-3,5-di(propan-2-yl)benzene
• CAS: 3055-14-9
• 化学式: C₁₃H₂₀
• mdl: MFCD00053414
• 分子量: 176.302
• InChiKey: SOALUUXENHDLMW-UHFFFAOYSA-N

物化性质

• 熔点：
  -60.8°C
• 沸点：
  216.5°C
• 密度：
  0.8668
• 保留指数：
  1206

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.538
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 海关编码：
  2902909090
• 储存条件：
  2-8°C

SDS

---

SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 3,5-DIISOPROPYLTOLUENE
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No. : 3055-14-9
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

---

SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Chronic aquatic toxicity (Category 4), H413
For the full text of the H-Statements mentioned in this Section, see Section 16.
This substance is not classified as dangerous according to Directive 67/548/EEC.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram none
Signal word none
Hazard statement(s)
H413 May cause long lasting harmful effects to aquatic life.
Precautionary statement(s) none
Supplemental Hazard none
Statements
Other hazards - none

---

SECTION 3: Composition/information on ingredients
Substances
Formula : C13H20
Molecular Weight : 176,3 g/mol
CAS-No. : 3055-14-9
No components need to be disclosed according to the applicable regulations.
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

---

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
Flush eyes with water as a precaution.
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
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available

---

SECTION 5: Firefighting 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

---

SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid breathing vapours, mist or gas. Ensure adequate ventilation.
For personal protection see section 8.
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.

---

SECTION 7: Handling and storage
Precautions for safe handling
Normal measures for preventive fire protection.
For precautions see section 2.2.
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 use(s)
A part from the uses mentioned in section 1.2 no other specific uses are stipulated

---

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
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
impervious clothing, 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).
Control of environmental exposure
Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into
the environment must be avoided.

---

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) Evapouration 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: 5,002
octanol/water
p) Auto-ignition 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

---

SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
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
In the event of fire: see section 5

---

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 sensitisation
no data available
Germ cell mutagenicity
no data available
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
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: Not available
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

---

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
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
no data available

---

SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
professional waste disposal service to dispose of this material.
Contaminated packaging
Dispose of as unused product.

---

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

---

---

SECTION 15 - REGULATORY INFORMATION
N/A

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1-甲基-3,5-二(丙-2-基)苯 在 溴 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 、 sodium t-butanolate 作用下， 以 氯仿 、 甲苯 为溶剂， 反应 56.0h， 生成 (1R,2R)-N¹,N²-bis(2,4-diisopropyl-6-methylphenyl)-1,2-diphenylethane-1,2-diamine
  参考文献：
  名称：

  镍（0）催化烯烃和醛类或酮类与氢化硅烷的分子内还原偶联

  摘要：

  已经开发了镍（0）催化醛和简单烯烃与氢硅烷的还原偶联。以高度非对映选择性的方式制备了多种甲硅烷基保护的1-茚满醇衍生物（高达> 99：1 ...

  DOI：

  10.1039/c6cc01915c
• 作为产物：
  描述：

  4-异丙基甲苯 在 三氯化铝 作用下， 生成 1-甲基-3,5-二(丙-2-基)苯
  参考文献：
  名称：

  Schorger, Journal of the American Chemical Society, 1917, vol. 39, p. 2675

  摘要：

  DOI：

文献信息

• Friedel-Crafts Alkylation and Acylation in the Absence of Solvent
  作者：M. Ghiaci、J. Asghari

  DOI：10.1080/00397919808007036

  日期：1998.6

  Abstract A short and efficient synthetic route, for alkylation and acylation of aromatic compounds in the absence of solvent is developed. According to the reaction system and conditions used, different alkyl-, and acyl arenes are obtained in moderate to good yields. The structures are assigned by 1H and 13C NMR spectroscopy.

  摘要 开发了一种在无溶剂条件下对芳香族化合物进行烷基化和酰化的短而有效的合成路线。根据所用的反应体系和条件，不同的烷基芳烃和酰基芳烃可以以中等至良好的收率获得。结构由 1H 和 13C NMR 光谱确定。
• Reaction routes in catalytic reforming of poly(3-hydroxybutyrate) into renewable hydrocarbon oil
  作者：Shimin Kang、Jian Yu

  DOI：10.1039/c5ra03195h

  日期：——

  ketonization of crotonic acid. The main aromatic compounds are formed in stage (3) from propylene and 2,3-dimethyl-2-cyclopenten-1-one as two key intermediates, the former from decarboxylation and the latter from ketonization of crotonic acid. The reaction routes reveal that the formation of aromatics is affected to a great extent by the concentrations of phosphoric acid and water in the reaction, which

  聚（3-羟基丁酸酯）或PHB是微生物的能量存储材料，可以重整为富含芳族化合物的烃油。这项工作研究了从PHB到关键中间体和最终碳氢化合物的主要反应路线。在中等温度（200–230°C）下催化磷酸的主要顺序反应包括：（1）PHB分解为巴豆酸，主要的单体中间体，（2）巴豆酸脱氧，以及（3）组合脱氧分子。PHB中的氧气以CO 2和H 2的形式除去在步骤（2）中的O，涉及巴豆酸的脱羧和酮化。主要的芳族化合物是在阶段（3）中由丙烯和2,3-二甲基-2-环戊烯-1-酮作为两个关键中间体形成的，前者来自脱羧作用，后者来自巴豆酸的酮化作用。反应路线表明，反应中磷酸和水的浓度在很大程度上影响芳烃的形成，可用于控制烃油的组成。
• One-pot production of hydrocarbon oil from poly(3-hydroxybutyrate)
  作者：Shimin Kang、Jian Yu

  DOI：10.1039/c4ra00892h

  日期：——

  phosphoric acid (H3PO4) solution at mild temperatures (165–240 °C). PHB and crotonic acid (C4H6O2), a dominant thermal degradation product of PHB, were deoxygenated mainly via decarboxylation, generating similar liquid and gaseous products. Carbon dioxide and propylene were the major products in gas phase with little CO formation. The hydrocarbon oil (C4–C16) is a mixture of alkanes, alkenes, benzenes and

  聚（3-羟基丁酸酯）（PHB）是许多微生物物种的能量存储材料，并且已被发现是生产可再生烃油的有效原料。在温和的温度（165–240°C）下，在磷酸（H 3 PO 4）溶液中可获得很高的含油量（高达38.2 wt％）。PHB和巴豆酸（C 4 H 6 O 2）是PHB的主要热降解产物，主要通过以下方式脱氧脱羧，生成类似的液体和气体产物。二氧化碳和丙烯是气相的主要产物，几乎没有一氧化碳的形成。烃油（C4-C16）是烷烃，烯烃，苯和萘的混合物。芳香族化合物（C10–C15）是100 wt％H 3 PO 4溶液中的主要烃，而稀释溶液（50 wt％至85 wt％H 3 PO 4）中则优选烯烃和烷烃（C4-C9 ）。H 3 PO 4的浓度是影响油的组成和产率的关键因素。巴豆酸在220°C下高效脱羧3小时，导致70.8 wt％的氧气作为CO 2被去除碳的57.0重量％作为烃油被回收。H 3 PO 4溶液可
• Intermolecular reductive coupling of hindered N-aryl imines towards the modular synthesis of chiral N-heterocyclic carbenes
  作者：Gregory J. Mercer、Megan Sturdy、David R. Jensen、Matthew S. Sigman

  DOI：10.1016/j.tet.2005.03.124

  日期：2005.6

  We describe a simple method for the synthesis of hindered N-aryl diamines. The diastereoselectivity for these processes are relatively low but the diamines can be separated using either chromatography or selective crystallization. Separation of enantiomers can be accomplished using HPLC equipped with a chiral stationary phase. (c) 2005 Elsevier Ltd. All rights reserved.
• Secondary alkyltoluene production
  申请人：STANDARD OIL CO

  公开号：US02795632A1

  公开（公告）日：1957-06-11

表征谱图