2,4-Di-tert-butylphenol 2,4-二叔丁基酚

CAS 96-76-4 MFCD00008828

化学结构图

96-76-4
SMILES: CC(C)(C)c1ccc(O)c(C(C)(C)C)c1

化学属性

Mol. FormulaC14H22O
Mol. Weight206.32
Boiling Point265.5°C at 760 mmHg
Melting Point53-56°C
Density0.932
Flash Point115°C
TSCAYes
Vapor Pressure1 mmHg ( 84.5 °C)
Solubility难溶
Stability对光敏感
Appearance 棕黄色固体。凝固点56.5℃，沸点263.5℃，152-157℃（3.3kPa），相对密度0.907（60/4℃），溶于甲醇和醚，极微溶于水。

别名和识别编码

Chemical Name2,4-Di-tert-butylphenol
CAS Number96-76-4
Synonym 2,4-Di-tert-butylphenol {LY} 2,4-Di-tert-butylphenol {} {LY} 2,4-Di-tert-butylphenol {} {} {LY} 2,4-Di-tert-butylphenol {} {} {} {LY} 2,4-Di-tert-butylphenol {} {} {} {} {LY} 2,4-Di-tert-butylphenol {} {} {} {} {} {LY} 2,4-Di-tert-butylphenol {} {} {} {} {} {} {LY} 2,4-Di-tert-butylphenol {} {} {} {} {} {} {} {LY} 2,4-Di-tert-butylphenol {} {} {} {} {} {} {} {} {LY} 2,4-Di-tert-butylphenol {} {} {} {} {} {} {} {} {} {LY} 2,4-Di-tert-butylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4-Di-tert-butylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4-Di-tert-butylphenol {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4-Di-tert-butylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4-Di-tert-butylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,4-Di-tert-butylphenol {} {} {} {}
PubChem Substance ID7311
EC Number202-532-0
Beilstein Registry Number1910383
MDL NumberMFCD00008828
Reaxys-RN1910383
Chemical Name Translation2,4-二叔丁基酚
Wiswesser Line Notation1X1&1&R BQ CX1&1&1
LabNetwork Molecule IDLN00226610
InChIInChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3
Canonical SMILESOC1=CC=C(C(C)(C)C)C=C1C(C)(C)C
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分类

  • {SNA} Bioactive Small Molecules, Building Blocks, C9 to C20+, Chemical Synthesis, D-DIF, Organic Building Blocks, Oxygen Compounds, Phenols, 细胞生物学
  • {SNA} Building Blocks, C9 to C20+, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Phenols
  • {SNA} Bioactive Small Molecules, Building Blocks, C9 to C20+, Cell Biology, Chemical Synthesis, D-DIF, Organic Building Blocks, Oxygen Compounds, Phenols
  • Bioactive Small Molecules, Building Blocks, C9 to C20+,

产品应用

  • 制备亚磷酸酯类抗氧化剂的主要原料

相关文献及参考

  • Mau, J., et al.: J. Agric. Food Chem., 45, 4726 (1997),
  • Short: II/27B
  • Yamaguchi, S., et al.: J. Food Sci., 36, 846 (1971),
  • Beilstein:6(3)2062
  • Ajlouni, S., et al.: Food Flavors, 1865 (1995),

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes 9
RTECSSK8260000
Precautionary statements
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Safety Statements
  • S24 Avoid contact with skin 避免皮肤接触；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S29 Do not empty into drains 不要排入下水道；
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
  • R50/53
UN Number 3077 UN 2430 8/PG 3 UN3077
Packing GroupIII
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Hazard Class9 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Behavioral - sleep
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 23,1350,1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 25 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD691-490

其他信息

  • 蒸气压:1 mm Hg ( 84.5 °C)
  • 用途三:可作抗氧剂、稳定剂、紫外线吸收剂的中间体。
  • 2,4-二叔丁基苯酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D0229 2,4-二叔丁基苯酚 2,4-Di-tert-butylphenol 25G 143元 2014/06/02 D0229 2,4-二叔丁基苯酚 2,4-Di-tert-butylphenol 500G 513元 2010/06/21 160125000 2,4-二叔丁基苯酚 2,4-Di-tert-butylphenol 97% 500 GR 388元
  • 用途二:是多种光稳定剂、抗氧化剂的重要中间体
  • Acros Organics:2,4-二叔丁基苯酚 2,4-Di-tert-butylphenol, 97%(96-76-4)
  • TCI Shanghai:2,4-二叔丁基苯酚 2,4-Di-tert-butylphenol,>;97.0%(GC)(96-76-4)
  • 可燃有特殊的烷基酚气味。易溶于醇类、酯类、烷烃、芳香烃等有机溶剂，几乎不溶于水。
  • 方法一:由苯酚与异丁烯进行烷基化反应而得。
  • 用途一:用作抗氧剂、紫外线吸收剂等
  • 用途四:制备亚磷酸酯类抗氧化剂的主要原料
  • 上游原料:苯酚 --> 异丁烯
  • 下游产品:三(2,4-二叔丁基)亚磷酸苯酯 --> 紫外线吸收剂 UV-327
  • 图谱信息:2,4-二叔丁基苯酚(96-76-4)核磁图( 1 HNMR) 2,4-二叔丁基苯酚(96-76-4)核磁图( 13 CNMR) 2,4-二叔丁基苯酚(96-76-4)质谱(MS) 2,4-二叔丁基苯酚(96-76-4)红外图谱(IR2) 2,4-二叔丁基苯酚(96-76-4)红外图谱(IR1)
  • MSDS 信息:2,4-Di-tert-butylphenol(96-76-4).msds
  • Sigma Aldrich:96-76-4(sigmaaldrich)
  • 海关编码:29071900
  • MOL 文件:96-76-4.mol
  • Alfa Aesar:2,4-二-叔-丁基苯酚,97% 2,4-Di-tert-butylphenol, 97%(96-76-4)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Others 其他杂环
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Phenols 酚类
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Phenols 酚类
  6. C9 to C20+ - Phenols
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Protected Alcohols/Phenols - Oxygen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Ethers
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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