128-38-1

• 常用中文名：四叔丁基联苯酚
• 常用英文名：2,2',6,6'-Tetra-tert-butyl-4,4'-biphenol
• CAS号：128-38-1
• 分子式：C₂₈H₄₂O₂
• 分子量：410.63200
• 发布时间：2018-07-17 18:49:49
• 更新时间：2024-01-05 12:26:32
• 药物成分（研究实验用）

名称

• 中文名: 四叔丁基联苯酚
• 英文名: 2,6-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxyphenyl)phenol
• 中文别名: 3,3,5,5-四(叔丁基)[1,1-联苯]-4,4-二醇; 2,2',6,6'-四叔丁基-4,4'-联苯二酚
• 英文别名: 2,2',6,6'-tetra-tert-butyl-p,p'-biphenol; EINECS 204-883-5; 3,3',5,5'-Tetra-tert-butylbiphenyl-4,4'-diol; 3,3',5,5'-tetra-t-butyl-4,4'-dihydroxybiphenyl; 2,2',6,6'-tetra-tert-butyl-4,4'-biphenol; Ethyl 712; 4,3,3',5,5'-tetra-tert-butyl

物化性质

• 密度: 0.981g/cm3
• 沸点: 460.4ºC at 760 mmHg
• 熔点: 185ºC
• 分子式: C₂₈H₄₂O₂
• 分子量: 410.63200
• 闪点: 182ºC
• 精确质量: 410.31800
• PSA: 40.46000
• LogP: 7.95480
• 蒸汽压: 4.27E-09mmHg at 25°C
• 折射率: 1.524
• 储存条件: 室温
• 分子结构:

  1、 摩尔折射率：128.15

  2、 摩尔体积（cm³/mol）：418.3

  3、 等张比容（90.2K）：1002.8

  4、 表面张力（dyne/cm）：33.0

  5、 极化率（10-24cm3）：50.80

• 计算化学:

  1.疏水参数计算参考值（XlogP）:9.5

  2.氢键供体数量:2

  3.氢键受体数量:2

  4.可旋转化学键数量:5

  5.互变异构体数量:5

  6.拓扑分子极性表面积40.5

  7.重原子数量:30

  8.表面电荷:0

  9.复杂度:465

  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

MSDS

Name: 3 3 5 5 -Tetra(tert-butyl)[1 1 -biphenyl] -4 4 -diol 97% Material Safety Data Sheet Synonym: CAS: 128-38-1 Section 1 - Chemical Product MSDS Name:3 3 5 5 -Tetra(tert-butyl)[1 1 -biphenyl] -4 4 -diol 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 128-38-1 3,3',5,5'-Tetra(tert-butyl)[1,1'-biphe 97% 204-883-5 Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. 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. Ingestion: Get medical aid. Wash mouth out with water. 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. 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. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. 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. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. 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# 128-38-1: Personal Protective Equipment Eyes: Not available. 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. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: yellow - brown Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. 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: C28H42O2 Molecular Weight: 411 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, acid chlorides. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, acrid smoke and fumes. Hazardous Polymerization: Not available. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 128-38-1 unlisted. LD50/LC50: Not available. Carcinogenicity: 3,3',5,5'-Tetra(tert-butyl)[1,1'-biphenyl] -4,4'-diol - Not listed by ACGIH, IARC, or NTP. 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 No information available. IMO No information available. RID/ADR No information available. 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 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 128-38-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 128-38-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 128-38-1 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S24/25
• 海关编码: 2907299090

合成路线

上下游产品

上游产品  9
128-39-2 2455-14-3 950-57-2 24457-07-6
2607-52-5 2179-51-3 69901-41-3 40084-31-9
1139-52-2
下游产品  6
92-88-6 115-11-7 98-51-1 719-22-2
2455-14-3 181648-66-8

海关

海关编码	2907299090
中文概述	2907299090 其他多元酚，酚醇。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%
申报要素	品名, 成分含量, 用途
监管条件	A.入境货物通关单 B.出境货物通关单
检验检疫	R.进口食品卫生监督检验 S.出口食品卫生监督检验 M.进口商品检验 N.出口商品检验
Summary	2907299090 polyphenols; phenol-alcohols。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0%