抗氧剂300 | 96-69-5

• 物质功能分类: 化学试剂 - 有机试剂 - 硫醇酯
• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: 抗氧剂300
• 中文别名: 5-叔丁基-4-羟基-2-甲基苯硫醚；4,4'-硫代双(6-叔丁基-3-甲基苯酚)；4,4'-硫代双(6-特丁基间甲酚)；4,4'-硫代双(5-甲基-2-叔丁基苯酚)；4,4'-硫代双(6-叔丁基间甲酚)；二(2-甲基-5-叔丁基-4-羟基苯基)硫醚；4,4"-硫代双(6-特丁基间甲酚)；抗氧剂 300
• 英文名称: Santonox R
• 英文别名: bis-[4-hydroxy-2-methyl-5-tert-butyl phenyl]-sulfide；4,4’-thiobis(2-(tert-butyl)-5-methylphenol)；4,4′-thiobis-(6-tert-butyl-3-methylphenol)；4,4′-thiobis(6-tert-butyl-3-methylphenol)；4,4′-thiobis(6-tert-butyl-m-methylphenol)；4,4′-thiobis(2-tertbutyl-5-methylphenol)；4,4'-Thiobis(6-tert-butyl-m-cresol)；2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol
• CAS: 96-69-5
• 化学式: C₂₂H₃₀O₂S
• mdl: MFCD00026287
• 分子量: 358.545
• InChiKey: HXIQYSLFEXIOAV-UHFFFAOYSA-N

物化性质

• 熔点：
  160-165 °C
• 沸点：
  460.94°C (rough estimate)
• 密度：
  1.06~1.12g/cm3
• 闪点：
  215 °C
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）
• LogP：
  5.24 at 25℃
• 物理描述：
  4,4'-thiobis(6-tert-butyl-m-cresol) appears as white or light gray to tan powder. (NTP, 1992)
• 颜色/状态：
  LIGHT GREY POWDER
• 气味：
  Slightly aromatic odor.
• 蒸汽压力：
  6.3e-07 mm Hg at 158 °F (NTP, 1992)
• 稳定性/保质期：
  1. 白色至褐色粉末。 2. 它能溶于乙醇、苯、丙酮、乙醚和石脑油，微溶于石油醚，不溶于水。 3. 本品低毒。

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  65.8
• 氢给体数：
  2
• 氢受体数：
  3

ADMET

毒理性

• 致癌性证据

A4；不可分类为人类致癌物。/4,4-硫代双(6-叔丁基间甲酚)/

A4; Not classifiable as a human carcinogen. /4,4-Thiobis(6-tert-butyl-m-cresol)/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 暴露途径

吸入，吞食，皮肤和/或眼睛接触

inhalation, ingestion, skin and/or eye contact

来源:The National Institute for Occupational Safety and Health (NIOSH)

毒理性

• 症状

眼睛、皮肤、呼吸道的刺激

irritation eyes, skin, respiratory system

来源:The National Institute for Occupational Safety and Health (NIOSH)

毒理性

• 靶器官

眼睛、皮肤、呼吸系统

Eyes, skin, respiratory system

来源:The National Institute for Occupational Safety and Health (NIOSH)

毒理性

• 副作用

职业性肝毒素 - 第二性肝毒素：在职业环境中的毒性效应潜力是基于人类摄入或动物实验的中毒案例。

Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

安全信息

• 职业暴露等级：
  B
• 职业暴露限值：
  TWA: 10 mg/m3 (total)
• 危险品标志：
  Xi
• 安全说明：
  S26,S37/39
• 危险类别码：
  R36/37/38
• WGK Germany：
  2
• 海关编码：
  29309070
• RTECS号：
  GP3150000
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

SDS

Name:	5-tert.-Butyl-4-hydroxy-2-methylphenyl sulfide Material Safety Data Sheet
Synonym:	m-Cresol, 4,4'-thiobis(6-tert-butyl-; Bis(3-tert-butyl-4-hydroxy-6-methylphenyl)sulfide; Bis(4-hydroxy-5-tert-butyl-2-methylphenyl) sulfide; Phenol, 4,4'-thiobis(2-(1,1-dimethylethyl)-5-methyl-; 4,4'-Thiobis(6-tert-butyl-m-cresol); 4,4
CAS:	96-69-5

Section 1 - Chemical Product MSDS Name:5-tert.-Butyl-4-hydroxy-2-methylphenyl sulfide Material Safety Data Sheet
Synonym:m-Cresol, 4,4'-thiobis(6-tert-butyl-; Bis(3-tert-butyl-4-hydroxy-6-methylphenyl)sulfide; Bis(4-hydroxy-5-tert-butyl-2-methylphenyl) sulfide; Phenol, 4,4'-thiobis(2-(1,1-dimethylethyl)-5-methyl-; 4,4'-Thiobis(6-tert-butyl-m-cresol); 4,4

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
96-69-5	5-tert.-Butyl-4-hydroxy-2-methylphenyl	ca. 100	202-525-2

Hazard Symbols: XI
Risk Phrases: 36/37/38

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
Chronic exposure may cause liver damage.

---

Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. If irritation develops, get medical aid.
Skin:
Immediately 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. 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 if cough or other symptoms appear.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. This material in sufficient quantity and reduced particle size is capable of creating a dust explosion.
Extinguishing Media:
Use extinguishing media most appropriate for the surrounding fire.
Use dry chemical, CO2, or halogenated agents.

---

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. Reduce airborne dust and prevent scattering by moistening with water. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Remove all sources of ignition. Provide ventilation.

---

Section 7 - HANDLING and STORAGE
Handling:
Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation.
Storage:
Do not store in direct sunlight. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

---

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 ventilation to keep airborne concentrations low.
Exposure Limits CAS# 96-69-5: United Kingdom, WEL - TWA: 10 mg/m3 TWA United Kingdom, WEL - STEL: 20 mg/m3 STEL United States OSHA: 15 mg/m3 TWA (total dust); 5 mg/m3 TWA (respirable fraction) Belgium - TWA: 10 mg/m3 VLE France - VME: 10 mg/m3 VME Malaysia: 10 mg/m3 TWA Netherlands: 10 mg/m3 MAC Spain: 10 mg/m3 VLA-ED 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: Powder
Color: light gray - tan
Odor: slight aromatic odor
pH: Not available.
Vapor Pressure: 0.00000063 mm Hg @ 70C
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 161 - 164 deg C
Autoignition Temperature: Not applicable.
Flash Point: 215 deg C ( 419.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: insoluble
Specific Gravity/Density: 1.10 @ 25C
Molecular Formula: C22H30O2S
Molecular Weight: 358.54

---

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

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 96-69-5: GP3150000 LD50/LC50:
CAS# 96-69-5: Oral, rabbit: LD50 = 3200 mg/kg; Oral, rat: LD50 = 2345 mg/kg.
Carcinogenicity:
5-tert.-Butyl-4-hydroxy-2-methylphenyl sulfide - 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
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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 96-69-5: 1
Canada
CAS# 96-69-5 is listed on Canada's DSL List.
CAS# 96-69-5 is listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 96-69-5 is listed on the TSCA inventory.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

化学性质：这是一种白色至黄褐色的粉末状物质。它能溶于苯、乙醇、丙酮和乙醚，微溶于石油醚，并不溶于水。

用途：该化合物是一种非污染性抗氧剂，主要用于聚乙烯包装薄膜及白色和浅色橡胶制品中，同时也可用于胶乳制品和ABS树脂等材料的加工。

反应信息

• 作为反应物：
  描述：

  抗氧剂300 在 三氯化磷 作用下， 以 正庚烷 、 甲苯 为溶剂， 反应 1.75h， 生成
  参考文献：
  名称：

  PHENOL-FREE PHOSPHITES DERIVATIVES AND PREPARATION THEREOF

  摘要：

  本发明涉及无酚磷酸酯及其制备方法。所述无酚磷酸酯是通过联缩和酯交换反应将联苯酚和磷酸衍生物与高级脂肪醇反应得到的。本发明的无酚磷酸酯可用作树脂的热稳定剂，以增强树脂在高温加工过程中的耐热性。

  公开号：

  US20130090491A1
• 作为产物：
  描述：

  6-叔丁基间甲酚 在 碘 、 silver trifluoroacetate 、 铜 、 magnesium sulfate 、 三乙胺 、 硫脲 作用下， 以 氯仿 为溶剂， 反应 4.5h， 以91%的产率得到抗氧剂300
  参考文献：
  名称：

  一种4,4′-硫代双(6-叔丁基-3-甲基苯酚)的合成方法

  摘要：

  本发明涉及4,4′‑硫代双(6‑叔丁基‑3‑甲基苯酚)的合成方法。所述方法避免使用传统工艺中必须使用的氯气以及二氯化硫，也没有产生大量的氯化氢尾气；副产的碘化银以及酸液均易于回收和再利用，反应的环保性和安全性大大提升，也不存在设备腐蚀等问题。因此，所述方法适合工业上合成4,4′‑硫代双(6‑叔丁基‑3‑甲基苯酚)。

  公开号：

  CN113200893A
• 作为试剂：
  描述：

  2-苯氧基丙醇 在 抗氧剂300 、 antimony pentoxide 、 氧气 、 氯 作用下， 以 水 为溶剂， 50.0~120.0 ℃ 、800.01 kPa 条件下， 反应 0.5h， 生成 2-(4-氯苯氧基)丙酸
  参考文献：
  名称：

  一种氯代苯氧羧酸的制备方法

  摘要：

  本发明提供了一种氯代苯氧羧酸的制备方法，包括以下步骤：S1)苯氧脂肪醇在催化剂A和催化剂B的作用下，和氯化剂进行2位和/或4位的选择性氯化反应，得到氯代苯氧脂肪醇；所述催化剂A为路易斯酸；所述催化剂B为C5～22的硫醚、噻唑、异噻唑、噻吩或它们的卤代衍生物；S2)氯代苯氧脂肪醇和水，在催化剂的作用下，和氧化剂进行催化氧化反应，得到氯代苯氧羧酸。本发明通过对工艺路线的重新设计，对催化剂和氯化剂的精细筛选，有效降低了能耗，提高了氯化选择性同时避免了有效成分的损失，所得氯代苯氧羧酸的含量可达98.5％以上，总收率可达99％以上。

  公开号：

  CN108947799A

文献信息

• Vilsmeier Reaction of Phenols. I. Synthesis of Aryl Formates
  作者：Syoji Morimura、Hideo Horiuchi、Keisuke Murayama

  DOI：10.1246/bcsj.50.2189

  日期：1977.8

  The reaction of phenol and o-t-butylphenols with N,N-dimethylformamide–phosphoryl chloride complex in dimethylformamide afforded the corresponding formates in fairly good yields. The scope and limitation of o-formylation of highly sterically hindered phenols with the complex were also examined.

  苯酚和叔丁基苯酚与 N,N-二甲基甲酰胺-磷酰氯络合物在二甲基甲酰胺中的反应以相当好的产率得到相应的甲酸酯。还研究了高度位阻酚与配合物的邻甲酰化的范围和限制。
• Diol-functionalized antioxidant and process for preparation thereof
  申请人：COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH

  公开号：US20040192969A1

  公开（公告）日：2004-09-30

  Diol-functionalized antioxidants and the process for the preparation thereof are disclosed and have the general formula (I): 1 wherein: R 1 is tert-butyl and R 2 is C 1 to C 8 linear or branched alkyl. The invention also pertains to a process for their preparation. Which comprises: Reacting a halo functionalized antioxidant having the general formula (II): 2 wherein: R 1 is tert-butyl and X is bromide (Br) with a diol having general formula (IV): 3 wherein R 2 is C 1 to C 8 linear or branched alkyl.

  二醇功能化抗氧化剂及其制备方法被披露，并具有通式 (I)： 1 其中： R 1 是叔丁基，R 2 是C 1 至C 8 的直链或支链烷基。 本发明还涉及它们的制备过程。 其包括： 将具有通式 (II) 的卤素功能化抗氧化剂： 2 其中： R 1 是叔丁基，X 是溴化物 (Br) 与具有通式 (IV) 的二醇反应： 3 其中 R 2 是C 1 至C 8 的直链或支链烷基。
• XANTHENE-BASED COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION COMPRISING SAME
  申请人：LG CHEM, LTD.

  公开号：US20200262807A1

  公开（公告）日：2020-08-20

  The present specification provides a compound represented by Chemical Formula 1, a colorant composition, a resin composition, a photosensitive material, a color filter and a display device comprising the same.

  当前规格书提供了一种由化学公式1表示的化合物，一种着色剂组合物，一种树脂组合物，一种光敏材料，以及包含该化合物的彩色滤光器和显示设备。
• COMPOUND OR ITS TAUTOMER, METAL COMPLEX COMPOUND, COLORED PHOTOSENSITIVE CURING COMPOSITION, COLOR FILTER, AND PRODUCTION
  申请人：MIZUKAWA Yuki

  公开号：US20120238752A1

  公开（公告）日：2012-09-20

  Provided is a colored photosensitive curing composition useful for color filters in primary colors, including blue, green, and red, having a high molar absorption coefficient and allowing a reduction in film thickness and superior color purity and fastness. A colored photosensitive curing composition, comprising, as its colorant, a dipyrromethene-based metal complex compound obtained from a metal or metal compound and a dipyrromethene-based compound represented by the following Formula (I): wherein in Formula (I), R 1 to R 6 each independently represent a hydrogen atom or a substituent group; and R 7 represents a hydrogen or halogen atom, or an alkyl, aryl or heterocyclic group.

  提供的是一种有用于原色彩色滤光片的彩色光敏固化组合物，包括蓝色、绿色和红色，具有高摩尔吸收系数，可减少薄膜厚度，具有优越的颜色纯度和牢固度。 一种彩色光敏固化组合物，包括作为其着色剂的从金属或金属化合物获得的基于二吡咯甲烷的金属配合物化合物和由以下式（I）表示的基于二吡咯甲烷的化合物，其中在式（I）中，R1至R6各自独立地表示氢原子或取代基；R7表示氢或卤素原子，或烷基、芳基或杂环基。
• Phospholipase A2 inhibitors
  申请人：American Home Products Corporation

  公开号：US04933365A1

  公开（公告）日：1990-06-12

  There is disclosed a method for the treatment of immunoinflammatory conditions, such as allergy, anaphylaxis, asthma and inflammation in mammals which comprises administering to a mammal so afflicated an effective amount of a compound having the formula: ##STR1## wherein R.sup.1 and R.sup.2 are each, independently, hydrogen, hydroxy, lower alkyl, lower alkoxy, haloloweralkyl, haloloweralkyl sulfonyl, halo or nitro; R.sup.3 is hydrogen, lower alkyl, or aryl of 7-12 carbon atoms; X is ##STR2## A is --CH.sub.2 --, --O-- or --S--; m is 0-8; n is 0-7, with the proviso that m+n.ltoreq.8; or a pharmacologically acceptable salt thereof.

  揭示了一种治疗免疫炎症疾病的方法，如过敏、过敏性休克、哮喘和哺乳动物体内的炎症，包括向患有这种疾病的哺乳动物施用具有以下结构式的化合物的有效量：##STR1## 其中R.sup.1和R.sup.2各自独立地为氢、羟基、较低烷基、较低烷氧基、卤代较低烷基、卤代较低烷基磺酰基、卤或硝基；R.sup.3为氢、较低烷基或7-12个碳原子的芳基；X为##STR2## A为--CH.sub.2 --、--O--或--S--；m为0-8；n为0-7，但需满足m+n≤8；或其药理学上可接受的盐。

表征谱图