2-Tert-Butyl-4-Methylphenol 2-叔丁基对甲苯酚

CAS 2409-55-4 MFCD00002381

化学结构图

2409-55-4
SMILES: Cc1ccc(O)c(C(C)(C)C)c1

化学属性

Mol. FormulaC11H16O
Mol. Weight164.25
Boiling Point237 °C at 760 mmHg
Melting Point50-52°C
Flash Point105°(221°F)
TSCAYes
Solubility不溶
Density0.961
Refractive index1.4963
Stability对湿度敏感

别名和识别编码

Chemical Name2-Tert-Butyl-4-Methylphenol
Synonym 2-(tert-Butyl)-4-methylphenol {LY} 2-(tert-Butyl)-4-methylphenol {} {LY} 2-(tert-Butyl)-4-methylphenol {} {} {LY} 2-(tert-Butyl)-4-methylphenol {} {} {} {LY} 2-(tert-Butyl)-4-methylphenol {} {} {} {} {LY} 2-(tert-Butyl)-4-methylphenol {} {} {} {} {} {LY} 2-(tert-Butyl)-4-methylphenol {} {} {} {} {} {} {LY} 2-(tert-Butyl)-4-methylphenol {} {} {} {} {} {} {} {LY} 2-(tert-Butyl)-4-methylphenol {} {} {} {} {} {} {} {} {LY} 2-(tert-Butyl)-4-methylphenol {} {} {} {} {} {} {} {} {} {LY} 2-(tert-Butyl)-4-methylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(tert-Butyl)-4-methylphenol {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(tert-Butyl)-4-methylphenol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(tert-Butyl)-4-methylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(tert-Butyl)-4-methylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(tert-Butyl)-4-methylphenol {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number2409-55-4
PubChem Substance ID87563875
EC Number219-314-6
Beilstein Registry Number6(3)1978
MDL NumberMFCD00002381
Reaxys-RN1817645
Chemical Name Translation2-叔丁基对甲苯酚
Wiswesser Line NotationQR D1 BX1&1&1
LabNetwork Molecule IDLN00193583
InChIInChI=1S/C11H16O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h5-7,12H,1-4H3
Canonical SMILESOC1=CC=C(C)C=C1C(C)(C)C
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分类

  • {SA} Building Blocks, C9 to C20+, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Phenols
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; alcohol; 1fragment
  • Building Blocks, C9 to C20+, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Phenols

产品应用

  • 有机合成。有机合成中间体。

相关文献及参考

  • Short: II/27B
  • Beilstein:6(3)1978
  • Short: III/35D2

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H303+H313
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Hazard Codes
RTECSGO7000000
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。
  • 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。
  • P301+P330+P331+P310
  • P303+P361+P353
  • P303+P361+P353+P310+P363
  • P304+P340
  • P304+P340+P310
  • P305+P351+P338
  • P305+P351+P338+P310
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word
UN Number 2430 UN 2430 8/PG 3 UN2430
Safety Statements
  • 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;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
  • S20 When using do not eat or drink 使用时,不得进食,饮水;
Risk Statements
  • R37 Irritating to respiratory system 刺激呼吸道
  • R34 Causes burns 会导致灼伤
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R51/53
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 Class8
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - hamster
DOSE/DURATION           : 84 gm/kg/20W-C
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Gastrointestinal - tumors
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 7,1285,1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 700 mg/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - acute pulmonary edema
   Gastrointestinal - ulceration or bleeding from small intestine
REFERENCE :
   JAPMA8 Journal of the American Pharmaceutical Association, Scientific
   Edition.  (Washington, DC) V.29-49, 1940-60.  For publisher information, see
   JPMSAE.  Volume(issue)/page/year: 38,366,1949

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 144 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: 18,868,1975

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 940 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - spastic paralysis with or without sensory
   change
   Behavioral - tremor
   Behavioral - coma
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0571339

{h

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 10 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exch

TYPE OF TEST            : Unscheduled DNA synthesis
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 336 gm/kg/8W (Continuous)
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 11,425,1990

TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 25 umol/L
REFERENCE :
   RCOCB8 Research Communications in Chemical Pathology and Pharmacology. (PJD
   Pub. Ltd., P.O. Box 966, Westbury, NY 11590)  V.1-    1970-
   Volume(issue)/page/year: 54,133,1986

其他信息

  • 不溶于水,能溶于醚、丙酮、苯和氯仿。有刺激性。
  • MSDS 信息:2-tert-Butyl-4-methylphenol(2409-55-4).msds
  • 用途二:有机合成中间体,用于生产防老剂2246、防老剂2246-S、紫外线吸收剂UV-326。
  • 毒性分级:中毒
  • F:8-9-23
  • 刺激数据:皮肤-兔 LD50: 2 毫克/24小时 重度; 眼睛-兔 0.05 毫克/24小时 重度
  • 急性毒性:口服-大鼠 LD50: 2500 毫克/公斤; 口服-小鼠 LD50: 700 毫克/公斤
  • Alfa Aesar:2-叔-丁基-4-甲基苯酚,99% 2-tert-Butyl-4-methylphenol, 99%(2409-55-4)
  • 图谱信息:2-叔丁基对甲苯酚(2409-55-4)核磁图( 13 CNMR) 2-叔丁基对甲苯酚(2409-55-4)质谱(MS) 2-叔丁基对甲苯酚(2409-55-4)核磁图( 1 HNMR) 2-叔丁基对甲苯酚(2409-55-4)红外图谱(IR1)
  • 类别:易燃液体
  • TCI Shanghai:2-叔丁基-4-甲基苯酚 2-tert-Butyl-p-cresol,>;98.0%(GC)(2409-55-4)
  • Acros Organics:2-叔丁基-4-甲基苯酚 2-tert-Butyl-4-methylphenol, 99%(2409-55-4)
  • 外观性质:白色针状结晶,不溶于水,能溶于醚、丙酮、苯和氯仿。有刺激性。熔点:52℃沸点:232.7℃密度:0.922折光率:1.4963闪点:105℃
  • 海关编码:29071900
  • 用途三:有机合成。有机合成中间体。
  • 储运特性:库房低温干燥通风, 与氧化剂分开存放
  • 用途一:主要用于抗氧剂2246系列、紫外线吸收剂UV-326等的制造
  • Sigma Aldrich:2409-55-4(sigmaaldrich)
  • 灭火剂:水雾, 干粉,泡沫
  • 方法一:由对甲苯酚与异丁烯在732#强酸性离子交换树脂催化下作用而得。上述反应在60℃左右进行,反应结束后,滤出催化剂。将滤液加入甲醇烧碱溶液中,使反应副产物2,6-二叔丁基对甲酚析出,过滤,经乙醇重结晶得264抗氧剂作为副产品。将滤去的滤液加硫酸中和、蒸馏、水洗、再经减压蒸馏、结晶、过滤即得成品。
  • MOL 文件:2409-55-4.mol
  • 上游原料:叔丁醇 --> 异丁烯 --> 4-甲基苯酚 --> 2,6-二叔丁基对甲酚
  • 可燃性危险特性:遇热, 明火, 氧化剂易燃; 热分解排出辛辣刺激烟雾
  • 2-叔丁基对甲苯酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010107 2-叔丁基对甲酚 100g 150元 2011/04/16 B0910 2-叔丁基对甲酚 2-tert-Butyl-p-cresol 25G 146元 2011/04/16 B0910 2-叔丁基对甲酚 2-tert-Butyl-p-cresol 500G 560元

系列性分类


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