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2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)methyl]phenol

更新时间:2025-08-27 08:30:39

2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)methyl]phenol结构式
2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)methyl]phenol结构式
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常用名 2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)methyl]phenol 英文名 2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)methyl]phenol
CAS号 133-63-1 分子量 312.44600
密度 1.044g/cm3 沸点 408.1ºC at 760mmHg
分子式 C21H28O2 熔点 N/A
MSDS N/A 闪点 176.5ºC

 名称

英文名 2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)methyl]phenol
英文别名 更多

 物理化学性质

密度 1.044g/cm3
沸点 408.1ºC at 760mmHg
分子式 C21H28O2
分子量 312.44600
闪点 176.5ºC
精确质量 312.20900
PSA 40.46000
LogP 5.28360
InChIKey PHAZIZJZLYBIIT-UHFFFAOYSA-N
SMILES CC(C)(C)c1cccc(Cc2cccc(C(C)(C)C)c2O)c1O
蒸汽压 3.04E-07mmHg at 25°C
折射率 1.555
分子结构

1、 摩尔折射率:96.10

2、 摩尔体积(cm3/mol):299.0

3、 等张比容(90.2K):744.4

4、 表面张力(dyne/cm):38.3

5、 极化率(10-24cm3):38.09

计算化学

1.疏水参数计算参考值(XlogP):无

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:4

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:23

8.表面电荷:0

9.复杂度:340

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

 安全信息

海关编码 2907299090

 合成线路

~90%

2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)methyl]phenol结构式

2-tert-butyl-6-...

133-63-1

文献:Casiraghi, Giovanni; Casnati, Giuseppe; Pochini, Andrea; Puglia, Giuseppe; Ungaro, Rocco; Sartori, Giovanni Synthesis, 1981 , # 2 p. 143 - 146

~21%

2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)methyl]phenol结构式

2-tert-butyl-6-...

133-63-1

文献:Davis; Balsells; Carroll; Walsh Organic letters, 2001 , vol. 3, # 14 p. 2161 - 2164

 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%

 英文别名

EINECS 205-115-1
2,2'-dihydroxy-3,3'-di-tert-butyldiphenylmethane
Bis-<2-hydroxy-3-tert.butyl-phenyl)-methan
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