四叔丁基联苯酚

四叔丁基联苯酚 基本信息
CAS号 128-38-1 分子式 C28H42O2
分子量 410.63200 精确质量 　410.31800
PSA 　40.46000 LogP 　7.95480
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目录
基本信息 物化性质 安全信息 合成路线 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
128-38-1
3D弹球模型：
立即前往扯扯看
分子式：
C28H42O2
分子量：
410.63200
中文名称：
四叔丁基联苯酚
英文名称：
2,6-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxyphenyl)phenol
中文别名：
四叔丁基联苯酚;
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：
2,6-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxyphenyl)phenol;
3,3',5,5'-tetra-t-butyl-4,4'-dihydroxybiphenyl;
3,3',5,5'-Tetra-tert-butylbiphenyl-4,4'-diol;
Ethyl 712;
4,3,3',5,5'-tetra-tert-butyl;
2,2',6,6'-tetra-tert-butyl-p,p'-biphenol;
2,2',6,6'-tetra-tert-butyl-4,4'-biphenol
精确分子量/精确质量：
410.31800
极性分子表面积/PSA：
40.46000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
EINECS：
204-883-5
InChI：
The Key: GSOYMOAPJZYXTB-UHFFFAOYSA-N

物化性质展开↓

密度：
0.981g/cm3
熔点：
185ºC
沸点：
460.4ºC at 760 mmHg
闪点：
182ºC
折射率：
1.524
蒸汽压：
4.27E-09mmHg at 25°C

安全信息展开↓

海关代码：
2907299090
危险类别码：
R36/37/38
安全说明：
S24/25
危险标志：
Xi

合成路线查看所有的合成路线

  • 2455-14-3

    3,3',5,5'-四叔丁基-4,4'-联苯醌

  • →

    ~99%

  • 128-38-1

    四叔丁基联苯酚

  • 128-39-2

    2,6-二叔丁基苯酚

  • →

    ~97%

  • 128-38-1

    四叔丁基联苯酚

  • 24457-07-6

    3,3',5,5'-tetra-t-butyl-1,1'-bi(2,5-cyclohexadienyl)-4,4'-dione

  • +

  • 24676-69-5

    2,6-二-叔-丁基苯醇酸钾

  • →

    ~94%

  • 2455-14-3

    3,3',5,5'-四叔丁基-4,4'-联苯醌

  • +

  • 128-38-1

    四叔丁基联苯酚

MSDS 展开↓

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

海关数据查看详细

中国海关编码：2907299090

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
摘要/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%

分子结构与计算化学数据展开↓

分子结构数据

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

计算化学数据

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

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    2,6-二叔丁基苯醌

  • 2455-14-3

    3,3',5,5'-四叔丁基-4,4'-联苯醌

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