128-38-1 (2,2',6,6'-四叔丁基-4,4'-联苯二酚,Ethyl 712)

快速询单

结构式：

2,2',6,6'-四叔丁基-4,4'-联苯二酚MOL文件

CAS号：

128-38-1

中文名称：

2,2',6,6'-四叔丁基-4,4'-联苯二酚

英文名称：

Ethyl 712

分子式：

C₂₈H₄₂O₂

分子量：

410.631888866425

2,2',6,6'-四叔丁基-4,4'-联苯二酚(128-38-1)名称与标识符

名称

中文别名：

2,2',6,6'-四叔丁基-4,4'-二羟基联苯;3,3,5,5-四(叔丁基)[1,1-联苯]-4,4-二醇;肉豆蔻酸-[9,10-3H];四叔丁基联苯;四叔丁基联苯酚;2,2',6,6'-四叔丁基-4,4'-联苯二酚;2,2',6,6'-四叔丁基-[1,1'-联苯基]-4,4'-二醇;2,2',6,6'-TETRA-TERT-BUTYL-4,4'-DIHYDROXYBIPHENYL 2,2',6,6'-四叔丁基-4,4'-二羟基联苯;

英文别名：

3,3',5,5'-Tetra-tert-butyl-[1,1'-biphenyl]-4,4'-diol;2,2',6,6'-Tetra-tert-butyl-4,4'-dihydroxybiphenyl;[1,1'-Biphenyl]-4,4'-diol,3,3',5,5'-tetrakis(1,1-dimethylethyl)-;2,6-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxyphenyl)phenol;3,3',5,5'-TETRA(TERT-BUTYL)[1,1'-BIPHENYL]-4,4'-DIOL;2,2',6,6'-tetra-tert-butyl-4,4'-biphenol;2,2',6,6'-tetra-tert-butyl-p,p'-biphenol;3,3',5,5'-tetra-t-butyl-4,4'-dihydroxybiphenyl;3,3',5,5'-Tetra-tert-butylbiphenyl-4,4'-diol;4,3,3',5,5'-tetra-tert-butyl;Ethyl 712;2,2',6,6'-Tetra-tert-butyl-[1,1'-biphenyl]-4,4'-diol;3,3',5,5'-Tetra-tert-butyl-4,4'-biphenol;3,3',5,5'-Tetra-tert-butyl-4,4'-biphenyldiol;3,3',5,5'-Tetra-tert-butyl-4,4'-dihydroxy-1,1'-biphenyl;Agidol 5;4,4'-Bi(2,6-di-tert-butylphenol);4,4-DI-(2,6-DI-TERT-BUTYLPHENOL);4,4'-bis(2,6-di-tert-butylphenol);3,3'',5,5''-Tetra-tert-butyl-4,4''-biphenol;43【bisphenol】;H-212;H-212/43【bisphenol】;D85N5VOL1N;4,4-Bis(2,6-di-tert-butylphenol);[1,1'-Biphenyl]-4,4'-diol, 3,3',5,5'-tetrakis(1,1-dimethylethyl)-;Inter008513,3',5,5'-Tetra-tert-butyl-4,4'-dihydroxybiphenyl;2,6-bis(tert-butyl)-4-[3,5-bis(tert-butyl)-4-hydroxyphenyl]phenol;4, 3,3',5,5'-tetra-tert-butyl-;[1,4'-diol, 3,3',5,5'-tetrakis(1,1-d;NSC61171;2,2',6,6'-tetra-t-butyl-4,4'-biphenol;4,4'-DIHYDROXY-3,5,3',5'-TETRA-TERT-BUTYLBIPHENYL;UNII-D85N5VOL1N;3,3',5,5'-TETRAKIS(1,1-DIMETHYLETHYL)-1,1'-BIPHENYL-4,4'-DIOL;NSC 14479;NSC39768;4,4'-Biphenyldiol, 3,3',5,5'-tetra-tert-butyl-;[1,4'-diol, 3,3',5,5'-tetrakis(1,1-dimethylethyl)-;BIS(2,6-DI-TERT-BUTYLPHENOL), 4,4'-;P,P'-BIPHENOL, 2,2',6,6'-TETRA-TERT-BUTYL-;4,4'-dihydroxy-3,3',5,5'-tetra-tert-butylbiphenyl;SCHEMBL803157;3,3',5,5'-TETRA-TERT-BUTYL-P,P'-BIPHENOL;HMS548C02;DTXSID0073160;Maybridge1_002334;3,3',5,5'-TETRA-TERT-BUTYL-4,4'-DIHYDROXYDIPHENYL;DivK1c_001086;CHEMBL1662;BDBM50266966;3,3',5,5'-TETRATERT-BUTYL[1,1'-BIPHENYL]-4,4'-DIOL;128-38-1;3,5,3',5'-TETRA-TERT-BUTYL-4,4'-DIHYDROXYDIPHENYL;MFCD00069443;EINECS 204-883-5;2,2',6,6'-Tetra-tert-butyl-4,4'-dihydroxybiphenyl, >/=98%;NSC-39768;FT-0613997;3,3',5,5'-tetra(t-butyl)-4,4'-dihydroxybiphenyl;AKOS022179598;CCRIS 5824;CDS1_000046;(1,1'-Biphenyl)-4,4'-diol, 3,3',5,5'-tetrakis(1,1-dimethylethyl)-;3,3',5,5'-TETRA-TERT-BUTYL-4,4'-HYDROXYBIPHENYL;3,3',5,5'-tetra-tert-butyl-4,4'-dihydroxybiphenyl;3,3',5,5'-Tetra(t-butyl)biphenenol;CS-0334581;BRD-K60303011-001-01-5;Q27276235;di(2,6-di-t-butylphenol);3,3',5,5'-TETRA-TERT-BUTYL(1,1'-BIPHENYL)-4,4'-DIOL;NSC-61171;GSOYMOAPJZYXTB-UHFFFAOYSA-N;NSC14479;AS-71733;T71682;NS00024050;NSC-14479;DB-025992;

标识符

MDL：

MFCD00069443

InChIKey：

GSOYMOAPJZYXTB-UHFFFAOYSA-N

Inchi：

1S/C28H42O2/c1-25(2,3)19-13-17(14-20(23(19)29)26(4,5)6)18-15-21(27(7,8)9)24(30)22(16-18)28(10,11)12/h13-16,29-30H,1-12H3

SMILES：

OC1C(=CC(=CC=1C(C)(C)C)C1C=C(C(=C(C=1)C(C)(C)C)O)C(C)(C)C)C(C)(C)C

2,2',6,6'-四叔丁基-4,4'-联苯二酚(128-38-1)物化性质

实验特性

LogP : 7.95480
PSA : 40.46000
熔点 : 184.0 to 187.0 deg-C
最大波长(λmax) : 265(lit.)
密度 : 0.981

计算特性

精确分子量 : 410.31800
氢键供体数量 : 2
氢键受体数量 : 2
可旋转化学键数量 : 5
同位素质量 : 410.318480578g/mol
重原子数量 : 30
复杂度 : 465
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 9.5
互变异构体数量 : 5
表面电荷 : 0
拓扑分子极性表面积 : 40.5

2,2',6,6'-四叔丁基-4,4'-联苯二酚(128-38-1)安全信息

2,2',6,6'-四叔丁基-4,4'-联苯二酚(128-38-1)国际标准相关数据

EINECS：

204-883-5

2,2',6,6'-四叔丁基-4,4'-联苯二酚(128-38-1)海关数据

海关编码：

2907299090

海关数据：

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

检验检疫类别：

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%

2,2',6,6'-四叔丁基-4,4'-联苯二酚(128-38-1)推荐厂家更多厂家(25)

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2,2',6,6'-四叔丁基-4,4'-联苯二酚(128-38-1)合成路线

合成路线：1 步

_94%

反应条件：

1.1 Catalysts: Benzoic acid , 4H-1,2,4-Triazolium, 3-phenyl-1-(2,4,6-trichlorophenyl)-4-(2,4,6-trimethylphenyl… Solvents: Tetrahydrofuran ; 6 h, rt

参考文献：

N-Heterocyclic Carbene/Carboxylic Acid Co-Catalysis Enables Oxidative Esterification of Demanding Aldehydes/Enals, at Low Catalyst Loading

Harnying, Wacharee ; et al, Angewandte Chemie, 2021, 60(36), 19631-19636

2,2',6,6'-四叔丁基-4,4'-联苯二酚(128-38-1)相关文献

1. Ion association and the viscosity of dilute electrolyte solutions. Part 1.—Aqueous inorganic salt solutions
C. W. Davies,V. E. Malpass Trans. Faraday Soc. 1964 60 2075
2. The synthesis and conformation of oxygenated trianglimine macrocycles
Nikolai Kuhnert,Ana Lopez-Periago,Giulia M. Rossignolo Org. Biomol. Chem. 2005 3 524
3. Kijanimicin. Part 3. Structure and absolute stereochemistry of kijanimicin
Alan K. Mallams,Mohindar S. Puar,Randall R. Rossman,Andrew T. McPhail,Ronald D. Macfarlane,Richard L. Stephens J. Chem. Soc. Perkin Trans. 1 1983 1497
4. Solvent effect on relative N- and O-acidity. Inversion of the deprotonation site of 2- and 4-[(2,4,6-trinitrophenyl)amino]benzoic acids
Alessandro Bagno,Fabrizio Dorigo,Patrick McCrae,Gianfranco Scorrano J. Chem. Soc. Perkin Trans. 2 1996 2163
5. Evidence for cationic Group 4 zirconocene complexes with intramolecular phenyl co-ordination
Linda H. Doerrer,Malcolm L. H. Green,Daniel H?u?inger,J?rg Sam?annshausen J. Chem. Soc. Dalton Trans. 1999 2111
6. Evidence for cationic Group 4 zirconocene complexes with intramolecular phenyl co-ordination
Linda H. Doerrer,Malcolm L. H. Green,Daniel H?u?inger,J?rg Sam?annshausen J. Chem. Soc. Dalton Trans. 1999 2111

2,2',6,6'-四叔丁基-4,4'-联苯二酚(128-38-1)参考资料

Reaxys RN：

2064401

Beilstein：

T161693

PubChem CID：

125310600

2,2',6,6'-四叔丁基-4,4'-联苯二酚(128-38-1) MSDS

基础信息

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