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


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