4-Methylbenzyl alcohol 4-甲基苄醇

CAS 589-18-4 MFCD00004664

化学结构图

589-18-4
SMILES: CC1CCC(CO)CC1

化学属性

Mol. FormulaC8H10O
Mol. Weight122.17
Boiling Point218.4°C at 760 mmHg
Melting Point59-61°C
Density0.978
TSCAYes
Flash Point116-118°C/20mm
Appearance 无色针状结晶体。熔点61-62℃(57-58℃),沸点217℃。溶于醇、醚、氯仿,微溶于水。

别名和识别编码

Chemical Name4-Methylbenzyl alcohol
MDL NumberMFCD00004664
PubChem Substance ID11505
CAS Number589-18-4
EC Number209-639-1
Beilstein Registry Number1856550
Synonym p-Tolylmethanol {LY} p-Tolylmethanol {} {LY} p-Tolylmethanol {} {} {LY} p-Tolylmethanol {} {} {} {LY} p-Tolylmethanol {} {} {} {} {LY} p-Tolylmethanol {} {} {} {} {} {LY} p-Tolylmethanol {} {} {} {} {} {} {LY} p-Tolylmethanol {} {} {} {} {} {} {} {LY} p-Tolylmethanol {} {} {} {} {} {} {} {} {LY} p-Tolylmethanol {} {} {} {} {} {} {} {} {} {LY} p-Tolylmethanol {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} p-Tolylmethanol {} {} {} {} {} {} {} {} {} {} {} {LY} p-Tolylmethanol {} {} {} {} {} {} {} {} {} {} {} {} {LY} p-Tolylmethanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} p-Tolylmethanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} p-Tolylmethanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} p-Tolylmethanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} p-Tolylmethanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation4-甲基苄醇
Reaxys-RN1856550
Wiswesser Line NotationQ1R D1
LabNetwork Molecule IDLN00193308
InChIInChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3
Canonical SMILESOCC1=CC=C(C)C=C1
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分类

  • {SNA} Alcohols, Building Blocks, C7 to C8, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds
  • Alcohols, Building Blocks, C7 to C8, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds

相关文献及参考

  • A high yield modification of the Ritter conversion of benzyl alcohols to N-acetylbenzylamines is illustrated by the reaction of this alcohol with acetonitrile in the presence of BF 3 etherate to give N-acetyl-4-methylbenzylamine: Synth. Commun., 24, 601 (1994).
  • Beilstein:6,498

安全信息

WGK Germany2
GHS Symbol
Precautionary statements
  • 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。
  • P264+P265
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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。
  • P302+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Hazard Codes Xi
RTECSDO9370000
Personal Protective Equipment dust mask type N95 (US), 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
Signal word Warning
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;
  • S37 Wear suitable gloves 戴适当手套;
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护;
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3900 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   20,839,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1400 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 12,347,1962

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   20,839,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 324 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   YKKZAJ Yakugaku Zasshi.  Journal of Pharmacy.  (Nippon Yakugakkai, 2-12-15
   Shibuya, Shibuya-ku, Tokyo 150, Japan)  No.1-    1881-
   Volume(issue)/page/year: 104,793,1984

其他信息

  • 用途二:用作有机合成中间体,可制取增塑剂,有机锡系氯乙烯稳定剂、非汞系农药,以及香料、表面活性剂等。该品对环氧、醇酸、丙烯、三聚氰胺等许多合成树脂和各种纤维素、松香、植物油等具有优良的溶解性能,可用作涂料的高沸点溶剂、涂料剥离剂组分、圆珠笔油溶剂,也用于羊毛等的染色助剂、橡胶再生剂、照相化学品等方面。
  • MOL 文件:589-18-4.mol
  • 溶于醇、醚、氯仿,微溶于水。
  • Sigma Aldrich:589-18-4(sigmaaldrich)
  • 图谱信息:4-甲基苄醇(589-18-4)Raman光谱 4-甲基苄醇(589-18-4)红外图谱(IR1) 4-甲基苄醇(589-18-4)红外图谱(IR2) 4-甲基苄醇(589-18-4)核磁图( 13 CNMR) 4-甲基苄醇(589-18-4)核磁图( 1 HNMR) 4-甲基苄醇(589-18-4)质谱(MS)
  • 用途一:用于合成染料、医药等
  • MSDS 信息:4-Methylbenzyl alcohol(589-18-4).msds
  • Acros Organics:4-甲基苄醇 4-Methylbenzyl alcohol, 98%(589-18-4)
  • TCI Shanghai:4-甲基苯甲醇 4-Methylbenzyl Alcohol,>;97.0%(GC)(589-18-4)
  • 方法一:由甲苯经氯甲基化得到对氯甲基甲苯,用碱皂化生成对甲基苄醇。
  • 4-甲基苄醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010239 对甲基苄醇 25g 280元 2011/04/16 M0162 4-甲基苯甲醇 4-Methylbenzyl Alcohol 25G 515元 2011/04/16 M0162 4-甲基苯甲醇 4-Methylbenzyl Alcohol 500G 4530元
  • Alfa Aesar:对甲基苄醇,99% 4-Methylbenzyl alcohol, 99%(589-18-4)

系列性分类


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