4-Sec-Butylphenol 3,3’,3’-次氮基三(丙酰胺)

CAS 99-71-8 MFCD00002375

化学结构图

99-71-8
SMILES: CCC(C)C1CCC(O)CC1

化学属性

Mol. FormulaC10H14O
Mol. Weight150.22
Boiling Point135-136 °C at 25 mmHg
Melting Point46-59 °C
Flash Point240 ºF

别名和识别编码

Chemical Name4-Sec-Butylphenol
CAS Number99-71-8
PubChem Substance ID87563734
EC Number202-781-5
MDL NumberMFCD00002375
Beilstein Registry Number6,522
Reaxys-RN1364714
Synonym 4-Sec-butylphenol {LY} 4-Sec-butylphenol {} {LY} 4-Sec-butylphenol {} {} {LY} 4-Sec-butylphenol {} {} {} {LY} 4-Sec-butylphenol {} {} {} {} {LY} 4-Sec-butylphenol {} {} {} {} {} {LY} 4-Sec-butylphenol {} {} {} {} {} {} {LY} 4-Sec-butylphenol {} {} {} {} {} {} {} {LY} 4-Sec-butylphenol {} {} {} {} {} {} {} {} {LY} 4-Sec-butylphenol {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} 4-Sec-butylphenol {} {} {} {} {} {} {} {} {} {} {LY} 4-Sec-butylphenol {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Sec-butylphenol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Sec-butylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Sec-butylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Sec-butylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Sec-butylphenol {} {} {} {} {} {} {} {} {} {} {
Chemical Name Translation3,3’,3’-次氮基三(丙酰胺)
Wiswesser Line NotationQR DY2&1
LabNetwork Molecule IDLN00189338
InChIInChI=1S/C10H14O/c1-3-8(2)9-4-6-10(11)7-5-9/h4-8,11H,3H2,1-2H3
Canonical SMILESOC1=CC=C(C=C1)C(C)CC
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; alcohol; racemate; 1fragment
  • {SA} B, Bioactive Small Molecules, Building Blocks, C9 to C20+, Cell Biology, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Phenols
  • {SNA} Building Blocks, C9 to C20+, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Phenols
  • B, Bioactive Small Molecules, Building Blocks, C9 to C20+, Cell Biology, Chemical Synthesis, Organic Building Blocks, Ox
  • {SNA} B, Bioactive Small Molecules, Building Blocks,

相关文献及参考

  • Beil. 6 ,522
  • Aldrich MSDS 1 , 330:C / Corp MSDS 1 (1), 645:A / FT-IR 1 (1), 1076:D / FT-IR 2 (2), 1844:B / IR-Spectra (2), 577:G / IR-Spectra (3), 648:A / NMR-Reference 2 (1), 874:A / RegBook 1 (1), 1269:J / Sax 6 , 596 / Structure Index 1 , 193:D:1 / Vapor Phase 3 , 1009:A
  • 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://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990

安全信息

GHS Symbol
WGK Germany2
Hazard Codes C
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
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
RTECSSJ8924000
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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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。
  • 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。
  • P301+P330+P331
  • P301+P330+P331+P310
  • P303+P361+P353
  • P303+P361+P353+P310+P363
  • P304+P340
  • P304+P340+P310
  • P305+P351+
  • P305+P351+P338
  • P305+P351+P338+P310
  • P308+P311
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • 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 Danger
UN Number 2430 UN 2430 8/PG 2
Safety Statements
  • 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；
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后，立即用大量…（由生产厂家指定）冲洗；
  • 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；
  • 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
  • R34 Causes burns 会导致灼伤
Packing GroupIII
Hazard Class8 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 66 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            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 40 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       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2450 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - spastic paralysis with or without sensory
   change
   Lungs, Thorax, or Respiration - chronic pulmonary edema
   Gastrointestinal - other changes
REFERENCE :
   SRTCAC Science Reports of the Research Institutes, Tohoku University, Series
   C: Medicine. (Tohoku University, Research Institute for Tuberculosis and
   Cancer, 4-1 Seiryo-machi, Sendai, Japan)  V.1-   1949-
   Volume(issue)/page/year: 36(1-4),10,1989

Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitro

其他信息

  • Sigma Aldrich:99-71-8(sigmaaldrich)
  • 刺激数据:皮肤-兔 500 毫克/4小时 轻度; 眼睛-兔 0.05 毫克/24小时 重度
  • 类别:易燃固体
  • 储运特性:库房通风低温干燥; 与碱类、氧化剂分开储运
  • MSDS 信息:4-sec-Butylphenol(99-71-8).msds
  • 毒性分级:中毒
  • TCI Shanghai:4-仲丁基苯酚 4-sec-Butylphenol,>;98.0%(GC)(99-71-8)
  • 职业标准:TWA 60 毫克/立方米; STEL 120 毫克/立方米
  • 灭火剂:二氧化碳、泡沫、干粉
  • 可燃性危险特性:遇热,明火易燃; 热分解排出辛辣刺激烟雾
  • 4-仲丁基苯酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0733 4-仲丁基苯酚 4-sec-Butylphenol 500G 1720元 2014/06/02 B0733 4-仲丁基苯酚 4-sec-Butylphenol 25G 198元
  • 图谱信息:4-仲丁基苯酚(99-71-8)红外图谱(IR1) 4-仲丁基苯酚(99-71-8)核磁图( 1 HNMR) 4-仲丁基苯酚(99-71-8)质谱(MS) 4-仲丁基苯酚(99-71-8)红外图谱(IR3) 4-仲丁基苯酚(99-71-8)核磁图( 13 CNMR) 4-仲丁基苯酚(99-71-8)红外图谱(IR2)
  • MOL 文件:99-71-8.mol
  • 急性毒性:口服-大鼠 LD50: 3250 微升/公斤; 口服-小鼠 LD50: 1030 毫克/公斤

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

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