2,6-Di-tert-butylphenol 2,6-二叔丁基苯酚

CAS 128-39-2 MFCD00008820

化学结构图

128-39-2
SMILES: CC(C)(C)c1cccc(C(C)(C)C)c1O

化学属性

Mol. FormulaC14H22O
Mol. Weight206.33
Boiling Point37°C at 760 mmHg
Melting Point34-37 °C
Density0.91
Flash Point253°C
TSCAYes
Vapor Pressure<;0.01 mmHg ( 20 °C)
Solubility不溶
Stability对光敏感
Appearance 无色结晶块状物，有苯酚气味。 水中溶解度40℃时达2.3%，100℃时达5%。溶于苛性碱液和常用有机溶剂。
Refractive index1.5312
pH:A

别名和识别编码

Chemical Name2,6-Di-tert-butylphenol
CAS Number128-39-2
EC Number204-884-0
Beilstein Registry Number6(3)2061
MDL NumberMFCD00008820
PubChem Substance ID31405
Reaxys-RN1841887
Synonym 2,6-Di-tert-butylphenol {LY} 2,6-Di-tert-butylphenol {} {LY} 2,6-Di-tert-butylphenol {} {} {LY} 2,6-Di-tert-butylphenol {} {} {} {LY} 2,6-Di-tert-butylphenol {} {} {} {} {LY} 2,6-Di-tert-butylphenol {} {} {} {} {} {LY} 2,6-Di-tert-butylphenol {} {} {} {} {} {} {LY} 2,6-Di-tert-butylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Di-tert-butylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Di-tert-butylphenol {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} 2,6-Di-tert-butylphenol {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Di-tert-butylphenol {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Di-tert-butylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Di-tert-butylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Di-tert-butylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,
Chemical Name Translation2,6-二叔丁基苯酚
Wiswesser Line NotationQR BX1&1&1 FX1&1&1
LabNetwork Molecule IDLN00195088
InChIInChI=1S/C14H22O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h7-9,15H,1-6H3
Canonical SMILESOC1=C(C(C)(C)C)C=CC=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
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; alcohol; 1fragment
  • Bioactive Small Molecules, Building Blocks,

产品应用

  • 受阻酚类抗氧化剂的主要母体

相关文献及参考

  • Short: III/35D2
  • Beilstein:6(3)2061
  • In the presence of KO-t-Bu or KH forms the sterically-hindered base potassium 2,6-di-t-butylphenoxide, which gives superior results to other bases in alkylations employing alkylboranes: J. Am. Chem. Soc., 91, 6852, 6854, 6855 (1969); 92, 1761, 5790 (1970); Synthesis, 427 (1974).
  • Widely used antioxidant in fuels, lubricants and polymers.

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
  • 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。
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes 9 Xn;N Xi,N Xn,N
RTECSSK8265000
Precautionary statements
  • 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。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P332+P313
  • P305+P351+P338+P337+P313
  • P301+P312+P330
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P302+P352+P332+P313+P362+P364
Signal word Warning
Safety Statements
  • S29 Do not empty into drains 不要排入下水道；
  • 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；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • S57 Use appropriate containment to avoid environmental contamination 使用适当容器避免环境污染；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • 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；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
UN Number UN3077 3077 UN 3145 8/PG 3
Risk Statements
  • R52/53
  • R22 Harmful if swallowed 吞咽有害
  • R51/53
  • R38 Irritating to skin 刺激皮肤
  • R50/53
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Packing GroupⅢ
Storage condition RT, stored under nitrogen {LY} RT, stored under nitrogen {} {LY} RT, stored under nitrogen {} {} {LY} RT, stored under nitrogen {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} RT, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard Class9 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 120 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
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       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 800 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: OTS0526583

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >10 gm/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: OTS0526583

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : >10 gm/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: OTS0526583

其他信息

  • 2,6-二叔丁基苯酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D0941 2,6-二叔丁基苯酚 2,6-Di-tert-butylphenol 25G 120元 2014/06/02 D0941 2,6-二叔丁基苯酚 2,6-Di-tert-butylphenol 500G 308元 2010/06/21 113000010 2,6-二叔丁基苯酚 2,6-Di-tert-butylphenol 99% 1 KG 435元
  • 用途二:用于制抗氧剂2,6-二叔丁基对甲酚、橡胶防老剂、甲酚-甲醛树脂和增塑剂，医药上用作消毒剂，还用于制染料等
  • 下游产品:四(3,5-二叔丁基-4-羟基)苯丙酸季戊四醇酯 --> 3-(3,5-二叔丁基-4-羟基苯基)丙酸正十八烷醇酯 --> 抗氧剂 3114 --> 抗氧剂 1222 --> 普罗布考 --> 抗氧剂 702
  • 用途六:受阻酚类抗氧化剂的主要母体
  • 防护措施:参见“邻甲酚”。大鼠经口LD50为1800mg/kg。
  • 用途四:是一种抗氧化剂，并用于制造多种优良的抗氧化剂和光稳定剂
  • MSDS 信息:2,6-Bis(1,1-Dimethylethyl)phenol(128-39-2).msds
  • 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。有刺激性。
  • Alfa Aesar:2,6-二-叔-丁基苯酚,98% 2,6-Di-tert-butylphenol, 98%(128-39-2)
  • Sigma Aldrich:128-39-2(sigmaaldrich)
  • 蒸气压:<;0.01 mm Hg ( 20 °C)
  • 上游原料:苯酚 --> 异丁烯
  • MOL 文件:128-39-2.mol
  • 用途五:主要用于制造天然橡胶及合成胶防老剂，塑料抗氧剂，燃料稳定剂，紫外线吸收剂及农药、染料中间体等，主要品种有抗氧剂1010、1076、702、3114、4426、甲叉4426-S、2002、330、1098、1088等。
  • Acros Organics:2，6-二叔丁基苯酚 2,6-Di-tert-butylphenol,99%(128-39-2)
  • 用途三:抗氧剂、表面活性剂
  • 常规方法:参见“邻甲酚”。
  • 海关编码:29071900
  • TCI Shanghai:2,6-二叔丁基苯酚 2,6-Di-tert-butylphenol,>;98.0%(GC)(128-39-2)
  • 用途一:用作塑料增塑剂、染料原料及石油抗氧剂

系列性分类

  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
  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. Analytical & Chromatography 分析化学与色谱
  2. Titration
  3. Karl Fischer Titration Reagents
  4. Coulometric Reagents
  1. Analytical & Chromatography 分析化学与色谱
  2. Titration
  3. Karl Fischer Titration Reagents
  4. Volumetric Reagents
  1. Analytical & Chromatography 分析化学与色谱
  2. Titration
  3. Volumetric Solutions
  4. Karl Fischer Reagents (HYDRANAL)
  5. Coulometric Reagents
  1. Analytical & Chromatography 分析化学与色谱
  2. Titration
  3. Volumetric Solutions
  4. Karl Fischer Reagents (HYDRANAL)
  5. Volumetric Reagents

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