2-Methyl-4-Phenyl-2-Butanol 2-甲基-4-苯基-2-丁醇

CAS 103-05-9 MFCD00004472

化学结构图

103-05-9
SMILES: CC(C)(O)CCc1ccccc1

化学属性

Mol. FormulaC11H16O
Mol. Weight164.24
Refractive indexn20/D 1.509(lit.)
Boiling Point144 °C at 85 mmHg
Density0.966 g/mL at 25 °C(lit.)
Melting Point31-33 °C
Flash Point>;230 °F
Appearance 1．色状：无色或淡黄色性液体。2．香气：花香、青香、草香。

别名和识别编码

Chemical Name2-Methyl-4-Phenyl-2-Butanol
CAS Number103-05-9
PubChem Substance ID7632
EC Number203-074-4
MDL NumberMFCD00004472
Reaxys-RN2076770
Beilstein Registry Number6(3)1962
Synonym 2-Methyl-4-phenyl-2-butanol {LY} 2-Methyl-4-phenyl-2-butanol {} {LY} 2-Methyl-4-phenyl-2-butanol {} {} {LY} 2-Methyl-4-phenyl-2-butanol {} {} {} {LY} 2-Methyl-4-phenyl-2-butanol {} {} {} {} {LY} 2-Methyl-4-phenyl-2-butanol {} {} {} {} {} {LY} 2-Methyl-4-phenyl-2-butanol {} {} {} {} {} {} {LY} 2-Methyl-4-phenyl-2-butanol {} {} {} {} {} {} {} {LY} 2-Methyl-4-phenyl-2-butanol {} {} {} {} {} {} {} {} {LY} 2-Methyl-4-phenyl-2-butanol {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-4-phenyl-2-butanol {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-4-phenyl-2-butanol {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-4-phenyl-2-butanol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-4-phenyl-2-butanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-4-phenyl-2-butanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-4-phenyl-2-butanol {} {} {} {} {} {} {}
Chemical Name Translation2-甲基-4-苯基-2-丁醇
Wiswesser Line NotationQX1&1&2R
LabNetwork Molecule IDLN01742967
InChIInChI=1S/C11H16O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3
Canonical SMILESCC(C)(CCC1=CC=CC=C1)O
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分类

  • Alcohols, Building Blocks, C11 to C30+, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; alcohol; 1fragment
  • {SA} Alcohols, Building Blocks, C11 to C30+, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds

相关文献及参考

  • Aldrich MSDS 1 , 170:D / Corp MSDS 1 (1), 1352:D / FT-IR 1 (1), 1155:C / FT-IR 2 (2), 1970:B / FT-NMR 1 (2), 390:B / Fenaroli (546) / IR-Spectra (3), 696:D / IR-Spectra (2), 616:F / NMR-Reference 2 (1), 957:B / RegBook 1 (1), 1343:I / Sax 6 , 401 / Structure Index 1 , 207:B:8 / Vapor Phase 3 , 1076:D
  • Beil. 6 ,548
  • 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: 1990/06/15
  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.

安全信息

GHS Symbol
WGK Germany2
Hazard Codes Xi
Hazard statements
  • H303+H313
  • H318 Causes serious eye damage 严重伤害眼睛
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSEL5785000
Precautionary statements
  • 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。
  • 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。
  • 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。
Signal word Danger
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；
Risk Statements
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 3500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 12,537,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 12,537,1974

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {}

其他信息

  • 可燃性危险特性:可燃; 燃烧产生刺激烟雾
  • Sigma Aldrich:103-05-9(sigmaaldrich)
  • 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该种添加剂的食品中文名称 添加剂功能 最大允许使用量（g/kg） 最大允许残留量（g/kg） 2-甲基-4-苯基-2-丁醇 食品 食品用香料 用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
  • 毒性分级:中毒
  • TCI Shanghai:2-甲基-4-苯基-2-丁醇 2-Methyl-4-phenyl-2-butanol,>;99.0%(GC)(103-05-9)
  • 急性毒性:口服-大鼠 LD50: 2200 毫克/公斤; 皮肤-兔子 LD50: 3500 毫克/公斤
  • 图谱信息:2-甲基-4-苯基-2-丁醇(103-05-9)红外图谱(IR1) 2-甲基-4-苯基-2-丁醇(103-05-9)质谱(MS) 2-甲基-4-苯基-2-丁醇(103-05-9)核磁图( 13 CNMR) 2-甲基-4-苯基-2-丁醇(103-05-9)核磁图( 1 HNMR) 2-甲基-4-苯基-2-丁醇(103-05-9)Raman光谱
  • 储运特性:通风低温干燥
  • FEMA:3629
  • MOL 文件:103-05-9.mol
  • 2-甲基-4-苯基-2-丁醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0398 2-甲基-4-苯基-2-丁醇 2-Methyl-4-phenyl-2-butanol 500G 4790元 2014/06/02 M0398 2-甲基-4-苯基-2-丁醇 2-Methyl-4-phenyl-2-butanol 25G 436元
  • 灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
  • 类别:有毒物品

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. Alcohols - Oxygen Compounds
  6. C9 to C10 - Alcohols
  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. Alcohols - Oxygen Compounds
  6. C11 to C30+ - Alcohols

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