4-Tert-Amylphenol 对叔戊基苯酚

CAS 80-46-6 MFCD00002369

化学结构图

80-46-6
SMILES: CCC(C)(C)C1CCC(O)CC1

化学属性

Mol. FormulaC11H16O
Mol. Weight164.24
Boiling Point255°C at 760 mmHg
Melting Point88-89 °C
Density0.962
TSCAYes
Flash Point111°C
Solubility37 MG/L (20 ºC)
Appearance 白色针状结晶。熔点94-95℃，沸点262.5℃，相对密度0.962(20/4℃)。溶于醇、醚、苯及氯仿，不溶于水。

别名和识别编码

Chemical Name4-Tert-Amylphenol
CAS Number80-46-6
PubChem Substance ID87562082
EC Number201-280-9
MDL NumberMFCD00002369
Reaxys-RN1908224
Merck Number7142
Beilstein Registry Number1908224
Synonym 4-tert-Amylphenol {LY} 4-tert-Amylphenol {} {LY} 4-tert-Amylphenol {} {} {LY} 4-tert-Amylphenol {} {} {} {LY} 4-tert-Amylphenol {} {} {} {} {LY} 4-tert-Amylphenol {} {} {} {} {} {LY} 4-tert-Amylphenol {} {} {} {} {} {} {LY} 4-tert-Amylphenol {} {} {} {} {} {} {} {LY} 4-tert-Amylphenol {} {} {} {} {} {} {} {} {LY} 4-tert-Amylphenol {} {} {} {} {} {} {} {} {} {LY} 4-tert-Amylphenol {} {} {} {} {} {} {} {} {} {} {LY} 4-tert-Amylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-tert-Amylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-tert-Amylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-tert-Amylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-tert-Amylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-tert-Amylphenol
Chemical Name Translation对叔戊基苯酚
Wiswesser Line NotationQR D1X1&1&1
LabNetwork Molecule IDLN00005859
Canonical SMILESCCC(C)(C)C1=CC=C(C=C1)O
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分类

  • A-AM, Bioactive Small Molecules, Building Blocks, C9 to C20+, Cell Biology, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Phenols
  • {SNA} A-AM, Bioactive Small Molecules, Building Blocks, C9 to C20+, Chemical Synthesis, 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} A-AM, Bioactive Small Molecules, Building Blocks,

相关文献及参考

  • Merck 14 ,7142
  • Beil. 6 ,548
  • Aldrich MSDS 1 , 124:D / Corp MSDS 1 (1), 251:B / FT-IR 1 (1), 1077:B / FT-IR 2 (2), 1844:D / FT-NMR 1 (2), 252:B / IR-Spectra (3), 648:C / IR-Spectra (2), 578:A / NMR-Reference 2 (1), 874:C / RegBook 1 (1), 1269:L / Sax 6 , 279 / Structure Index 1 , 193:B:2 / Vapor Phase 3 , 1009:C
  • Short: IV/20B Title: Vapor Pressure and Antoine Coefficients for Oxygen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20B Year: 2000 Keyword: organic compounds; vapor pressure ISBN: 3-540-64968-9 ISBN: 978-3-540-64968-7 Internet Resource: DOI:10.1007/b71424 RefComment: VII, 320 pages.
  • Short: IV/8I Title: Densities of Phenols, Aldehydes, Ketones, Carboxylic Acids, Amines, Nitriles, and Nitrohydrocarbons Author: Frenkel, M.; Hong, X.; Dong, Q.; Yan, X.; Chirico, R.D. Editor: Frenkel, M.; Marsh, K.N. Source: Landolt-Börnstein, New Series Volume: IV/8I Year: 2002 Keyword: Thermodynamics; Thermodynamik ISBN: 978-3-540-42883-1 ISBN: 3-540-42883-6 Internet Resource: DOI:10.1007/b76771 RefComment: XI, 470 p., Hardcover RefComment: Written for Scientists and engineers in the fields of Physics, Chemistry and Physical Chemistry Abstract: Critically evaluated experimental data covering the densities of organic compounds are essential for both scientific and industrial applications. Knowledge of densities is important in many areas, including custody transfer of materials, product specification, development of various predictive methods, and for characterizing compounds and estimating their purity.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ec

安全信息

GHS Symbol
WGK Germany2
Hazard Codes 8 C
Hazard statements
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H302+H312
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
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
RTECSSM6825000
Precautionary statements
  • 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+P312
  • P301+P330+P331
  • P303+P361+P353
  • P303+P361+P353+P310+P363
  • P304+P340
  • P305+P351+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P330 Rinse mouth. 漱口
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
UN Number 2430 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；
  • S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服；
  • 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）；
Risk Statements
  • R21/22 Harmful in contact with skin and if swallowed 皮肤接触和不慎吞咽有害
  • R34 Causes burns 会导致灼伤
  • R51/53
Packing GroupII
Hazard Class8 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 2 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   UCDS** Union Carbide Data Sheet.  (Union Carbide Corp., 39 Old Ridgebury
   Rd., Danbury, CT 06817)  Volume(issue)/page/year: 8/13/1964

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1830 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   IHFCAY Industrial Hygiene Foundation of America, Chemical and Toxicological
   Series, Bulletin. (Pittsburgh, PA)  1947-69.  Volume(issue)/page/year:
   6,1,1967

Storage condition

其他信息

  • 可燃性危险特性:可燃; 燃烧产生刺激烟雾
  • 上游原料:三氯化铝
  • TCI Shanghai:4-叔戊基苯酚 4-tert-Amylphenol,>;98.0%(GC)(80-46-6)
  • 类别:易燃固体
  • Acros Organics:4-叔戊基苯酚 4-tert-Amylphenol, 99%(80-46-6)
  • 毒性分级:中毒
  • Alfa Aesar:4-叔戊基苯酚,99% 4-tert-Pentylphenol, 99%(80-46-6)
  • 用途一:用于有机合成。
  • MSDS 信息:4-tert-Amylphenol(80-46-6).msds
  • 储运特性:库房通风低温干燥; 与氧化剂分开存放
  • 灭火剂:干粉、雾状水、二氧化碳
  • 方法一:叔戊醇和苯酚在溶剂石油醚中无水三氯化铝为催化剂发生反应，温度控制在20℃以下，得到的产物通过蒸馏和石油醚重结晶进行精制，收率为80-90%
  • 刺激数据:皮肤-兔子 0.1 毫克/24小时 中度; 眼睛-兔子500 毫克 重度
  • MOL 文件:80-46-6.mol
  • Sigma Aldrich:80-46-6(sigmaaldrich)
  • 对叔戊基苯酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A0460 4-叔戊基苯酚 4-tert-Amylphenol 500G 429元 2014/06/02 A0460 4-叔戊基苯酚 4-tert-Amylphenol 25G 224元 2010/06/21 167332500 对叔戊基苯酚 4-tert-Amylphenol 99% 250 GR 519元
  • 急性毒性:口服-大鼠 LD50: 1830 毫克/公斤; 皮肤-兔子 LD50: 2000 毫克/公斤
  • 图谱信息:对叔戊基苯酚(80-46-6)质谱(MS) 对叔戊基苯酚(80-46-6)核磁图( 13 CNMR) 对叔戊基苯酚(80-46-6)红外图谱(IR2) 对叔戊基苯酚(80-46-6)红外图谱(IR1) 对叔戊基苯酚(80-46-6)核磁图( 1 HNMR)

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. Environmental Endocrine Disruptors

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