4-Isopropyl-3-Methylphenol 4-异丙基-3-甲基苯酚

CAS 3228-02-2 MFCD00010704

化学结构图

3228-02-2
SMILES: Cc1cc(O)ccc1C(C)C

化学属性

Mol. FormulaC10H14O
Mol. Weight150.21756
Melting Point111-114
Boiling Point246°C(lit.)
Appearance 白色针状结晶。熔点112℃,沸点244℃。在室温下的溶解度分别约为:在乙醇中36%,甲醇65%,异丙醇50%,正丁醇32%,丙酮65%。不溶于水。

别名和识别编码

Chemical Name4-Isopropyl-3-Methylphenol
MDL NumberMFCD00010704
PubChem Substance ID18597
CAS Number3228-02-2
EC Number221-761-7
Reaxys-RN1364028
Synonym 4-Isopropyl-3-methylphenol {LY} 4-Isopropyl-3-methylphenol {} {LY} 4-Isopropyl-3-methylphenol {} {} {LY} 4-Isopropyl-3-methylphenol {} {} {} {LY} 4-Isopropyl-3-methylphenol {} {} {} {} {LY} 4-Isopropyl-3-methylphenol {} {} {} {} {} {LY} 4-Isopropyl-3-methylphenol {} {} {} {} {} {} {LY} 4-Isopropyl-3-methylphenol {} {} {} {} {} {} {} {LY} 4-Isopropyl-3-methylphenol {} {} {} {} {} {} {} {} {LY} 4-Isopropyl-3-methylphenol {} {} {} {} {} {} {} {} {} {LY} 4-Isopropyl-3-methylphenol {} {} {} {} {} {} {} {} {} {} {LY} 4-Isopropyl-3-methylphenol {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Isopropyl-3-methylphenol {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Isopropyl-3-methylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Isopropyl-3-methylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Isopropyl-3-methylphenol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation4-异丙基-3-甲基苯酚
Beilstein Registry Number1364028
LabNetwork Molecule IDLN00224531
InChIInChI=1S/C10H14O/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7,11H,1-3H3
Canonical SMILESOC1=CC(C)=C(C(C)C)C=C1
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分类

  • {SA} Building Blocks, C9 to C20+, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Phenols
  • Building Blocks, C9 to C20+, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Phenols

相关文献及参考

  • Beil. 6 ,II,491
  • FT-IR 2 (2), 1857:D / FT-NMR 1 (2), 266:B / RegBook 1 (1), 1277:M / Structure Index 1 , 194:A:7 / Vapor Phase 3 , 1021:A

安全信息

WGK Germany2
GHS Symbol
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。
  • P264+P265
  • 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。
  • 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。
  • 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+P317
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P305+P354+P338
  • P308+P316
  • P317
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P332+P317
  • 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
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • 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
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • 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
RTECSGZ7170000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
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;
  • S37/39 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
Packing GroupIII
Hazard Class8
UN Number 1759
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 184 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Skin and Appendages - hair
REFERENCE :
   OSDIAF Osaka Shiritsu Daigaku Igaku Zasshi.  Journal of the Osaka City
   Medical Center.  (Osaka, Japan)  V.4-23, 1955-74.  For publisher
   information, see OIGZDE.  Volume(issue)/page/year: 5,111,1956

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 6280 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - spastic paralysis with or without sensory
   change
   Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
   OSDIAF Osaka Shiritsu Daigaku Igaku Zasshi.  Journal of the Osaka City
   Medical Center.  (Osaka, Japan)  V.4-23, 1955-74.  For publisher
   information, see OIGZDE.  Volume(issue)/page/year: 5,111,1956

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • Sigma Aldrich:3228-02-2(sigmaaldrich)
  • 3-甲基-4-异丙基苯酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0409 4-异丙基-3-甲基苯酚 4-Isopropyl-3-methylphenol 25G 256元
  • TCI Shanghai:3-甲基-4-异丙基苯酚 4-Isopropyl-3-methylphenol,>;99.0%(GC)(3228-02-2)
  • 用途一:用作膏霜类化妆品的防腐、杀菌剂。
  • 上游原料:间甲酚 --> 三氯乙烯 --> 2-氯丙烷
  • MOL 文件:3228-02-2.mol
  • 图谱信息:3-甲基-4-异丙基苯酚(3228-02-2)红外图谱(IR1) 3-甲基-4-异丙基苯酚(3228-02-2)质谱(MS) 3-甲基-4-异丙基苯酚(3228-02-2)核磁图( 1 HNMR) 3-甲基-4-异丙基苯酚(3228-02-2)核磁图( 13 CNMR) 3-甲基-4-异丙基苯酚(3228-02-2)红外图谱(IR2)
  • 方法一:将间甲酚和氯代异丙烷溶于三氯乙烯中,以无水三氯化铝为催化剂,在10-15℃反应,然后水解,蒸馏分离得到3-甲基-4-异丙基酚。另外间甲酚在100-120℃与异丙醇反应,以硫酸或磷酸为催化剂也可制得成品。

系列性分类


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