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} 2,6-Di-tert-butylphenol
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


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