3,5-双(甲基氯)-2,4,6-三甲基苯酚 | 33919-18-5

• 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: 3,5-双(甲基氯)-2,4,6-三甲基苯酚
• 中文别名: 3,5-双(氯甲基)-2,4,6-三甲基苯酚
• 英文名称: 3,5-bis(chloromethyl)-2,4,6-trimethylphenol
• 英文别名: 3,5-bis-chloromethyl-2,4,6-trimethyl-phenol；3,5-Bis-chlormethyl-2,4,6-trimethyl-phenol；3,5-bis(chloromethyl)-2,4,6-trimethyl-phenol；3,5-Bis(chlormethyl)-2,4,6-trimethylphenol；3,5-Dichlormethyl-mesitol
• CAS: 33919-18-5
• 化学式: C₁₁H₁₄Cl₂O
• mdl: MFCD00800490
• 分子量: 233.138
• InChiKey: DCJPBYTWRPNDEC-UHFFFAOYSA-N

物化性质

• 熔点：
  135-140 °C
• 沸点：
  327.88°C (rough estimate)
• 密度：
  1.2207 (rough estimate)
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2908199090

SDS

Name:	3 5-bis(chloromethyl)-2 4 6-trimethyl-phenol 96% (gc) Material Safety Data Sheet
Synonym:	Non
CAS:	33919-18-5

Section 1 - Chemical Product MSDS Name:3 5-bis(chloromethyl)-2 4 6-trimethyl-phenol 96% (gc) Material Safety Data Sheet
Synonym:Non

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
33919-18-5	3,5-Bis(chloromethyl)-2,4,6-trimethylp	96	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.Light sensitive.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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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 immediately.
Skin:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Get medical aid. Wash mouth out with water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:

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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.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Do not store in direct sunlight. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 33919-18-5: 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.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: beige
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 135 - 139 deg C
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: C11H10Cl2O
Molecular Weight: 229.11

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Light.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 33919-18-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3,5-Bis(chloromethyl)-2,4,6-trimethylphenol - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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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.

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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# 33919-18-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 33919-18-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 33919-18-5 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3,5-双(甲基氯)-2,4,6-三甲基苯酚 在 硫脲 作用下， 以 sodium hydroxide 、 二乙二醇单甲醚 为溶剂， 生成 3,5-bis(mercaptomethyl)-2,4,6-trimethyl-phenol
  参考文献：
  名称：

  Thioether substituted phenols and their use as stabilizers

  摘要：

  本发明提供了一种公式I的新化合物##STR1##其中R.sub.1，R.sub.2，R.sub.8，R.sub.9和R.sub.10独立地表示烷基，烯基，环烷基，苯基，萘基，烷基苯基或芳基烷基，而R.sub.1和R.sub.2也可以独立地表示氢或烷氧羰基甲基。这些新的酚类化合物适用于有机聚合物和润滑剂中的稳定剂。

  公开号：

  US04820756A1
• 作为产物：
  描述：

  2,4,6-三甲酚 在 盐酸 、 聚合甲醛 、 溶剂黄146 作用下， 生成 3,5-双(甲基氯)-2,4,6-三甲基苯酚
  参考文献：
  名称：

  Über die kondensation von phenolen mit formaldehyd in gegenwart von säure

  摘要：

  AbstractBei der sauren Kondensation verschiedener Phenole mit Formaldehyd konnten Methylolverbindungen isoliert werden. Ein qualitativer Vergleich der Reaktionsgeschwindigkeiten der sauren Kondensation von 2, 4‐Dimethylphenol mit Formaldehyd und der Kondensation von 3,5‐Dimethyl‐2‐oxybenzylalkohol mit 2,4‐Dimethylphenol ergab für die letztere Reaktion eine größere Reaktionsgeschwindigkeit, was die Annahme einer Methylolverbindung als Zwischenstufe der Novolakbildung bekräftigt. Auch beim m‐Xylol bzw. dem 2,4‐Dimethylbenzylalkohol wurden entsprechende Untersuchungen durchge führt. An verschiedenen, in p‐ und beiden o‐Stellungen substituierten Phenolen wurde eine Kondensation des Formaldehyds in m‐Stellung zur Hydroxylgruppe festgestellt und die entsprechenden Chlormethylverbindungen sowie hieraus Derivate hergestellt. Bei der Chlorierung des 2,4‐Dimethylphenols wurde eine 5‐Chlorverbindung gewonnen. Die Darstellung des Mesitols wird beschrieben.

  DOI：

  10.1002/macp.1953.020090101

文献信息

• Nitration of Pentamethylnitrobenzene, Pentamethylbenzoic Acid and Its Methyl Ester, Pentamethylacetanilide, and Pentamethylphenol and Its Methyl Ether. Orienting Effect of the Substituents for the Side-chain Nitrooxylation
  作者：Hitomi Suzuki、Kiyomi Nakamura

  DOI：10.1246/bcsj.44.227

  日期：1971.1

  The nitration of a series of the titled pentamethylbenzene derivatives has been investigated in order to know the orienting effect of substituent groups for the side-chain nitrooxylation. The nitrooxylation was found to occur almost exclusively at the methyl groups adjacent to the electron-withdrawing substituents (NO2, COOH, and COOCH3), while with the compounds containing electron-donating groups (OH and OCH3) the main reaction led to the conversion into cyclohexadienone, with the concomitant formation of small amounts of meta-nitrooxylated product. Pentamethylacetanilide underwent side-chain nitrooxylation along with some deacetylation. The location of the nitrooxymethyl group seems to be most likely ortho and meta, the latter being predominant.

  对一系列命名为五甲基苯衍生物的硝基化反应进行了研究，以了解取代基对侧链硝氧基化的取向效应。研究发现，硝氧基化几乎专门发生在与电子吸引取代基（NO2、COOH和COOCH3）相邻的甲基上，而含有电子供给基团（OH和OCH3）的化合物主要反应转化为环己二烯酮，同时生成少量的间硝氧化产品。五甲基乙酰苯胺发生了侧链硝氧基化，同时伴随一些去乙酰化反应。硝氧基甲基的位置似乎最有可能是邻位和间位，后者占主导。
• Synthesis of a 1,3-alternate tetramercapto [1.1.1.1]metacyclophane
  作者：Xavier Delaigue、Mir Wais Hosseini

  DOI：10.1016/s0040-4039(00)61465-x

  日期：1993.12

  1,3-alternate 3,5,7,10,12,14,17,19,21,24,26,28-dodecamethyl[1.1.1.1]metacyclophane-4,11,18,25-tetrathiol was prepared in high yield in three steps starting from the tetrahydroxy metacyclophane.

  1,3-交替3,5,7,10,12,14,17,19,21,24,26,28-十二烷基甲基[1.1.1.1]间环phane-4,11,18,25-四硫醇的制备方法从四羟基间环己烯开始，分三步收率。
• Umwandlung von 6-Methylen-tricyclo[3.2.1.02,7]oct-3-en-8-onen in Polymethyltropyliumsalze
  作者：Jasna Peter-Katalini?、Janos Zsindely、Hans Schmid

  DOI：10.1002/hlca.19730560815

  日期：1973.12.12

  When dissolved in trifluoroacetic or fluorosulfonic acid, 6-methylene-tricyclo[3.2.1.02,7]oct-3-ene-8-one derivatives of type 2 (;scheme 1); give polymethyltropylium salts in moderate to good yields by CO-extrusion. These tropylium salts can be isolated pure as hexachloroplatinates. Thus the tricyclic compound 6 gives 1,2,4-trimethyltropylium trifluoroacetate 19 in trifluoroacetic acid (;scheme 3);

  当溶于三氟乙酸或氟磺酸中时，类型2的6-亚甲基-三环[3.2.1.0 2.7 ]辛-3-烯-8-一衍生物（；方案1）；通过共挤塑可以中等到良好的收率得到聚甲基tropylium盐。这些对苯二甲基铵盐可以以六氯铂酸盐的形式纯净地分离出来。因此，三环化合物6在三氟乙酸中得到1,2,4-三甲基对甲基三氟乙酸酯19（；方案3）。CDCl 3中的该盐与其共价环庚三烯（tropilidene）处于平衡状态；表格20，两种表格的比例为1.5-2.1 / 1。tropylium盐19通过氢化锂铝还原为关于双键异构的1,2,4-三甲基环庚烯的混合物，在氢化物上用三苯甲基-四氟硼酸酯提取时，再次得到1,2,4-三甲基tropylium盐19（;方案3 ）;。在三氟乙酸中，由三甲基取代的三环化合物7和8分别获得1,2,4,6-和1,2,3,4-四甲基对yl离子（; 22和24）; （;方案4和5）;。以这种方式，1
• A novel hyperbranched polyether by melt transetherification
  作者：M. Jayakannan、S. Ramakrishnan

  DOI：10.1039/b005552m

  日期：——

  Melt self-condensation of 1-(2-hydroxyethoxy)-3,5-bis(methoxymethyl)-2,4,6-trimethylbenzene in the presence of an acid catalyst via a transetherification process yielded a soluble high molecular weight hyperbranched polyether, whose structure was established by NMR spectroscopy.

  1-(2-羟基乙氧基)-3,5-双(甲氧基甲基)-2,4,6-三甲基苯在酸催化剂存在下通过醚交换过程熔融自缩合得到可溶性高分子量超支化聚醚。结构是通过核磁共振光谱确定的。
• AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS
  申请人：Cadieux Jean-Jacques

  公开号：US20100240713A1

  公开（公告）日：2010-09-23

  This invention is directed to compounds of formula (I), wherein m, formula (II), R 1 , R 2 and R 3 are as defined herein, as a stereoisomer, enantiomer, tautomer thereof or mixtures thereof; or a pharmaceutically acceptable salt, solvate or prodrug thereof, for the treatment of iron disorders. This invention is also directed to pharmaceutical compositions comprising the compounds and methods of using the compounds to treat iron disorders.

  本发明涉及式（I）的化合物，其中m、式（II）、R1、R2和R3如本文所定义，作为立体异构体、对映异构体、互变异构体或其混合物；或其药学上可接受的盐、溶剂或前药，用于治疗铁代谢紊乱。本发明还涉及包含该化合物的制药组合物以及使用该化合物治疗铁代谢紊乱的方法。