1-Phenyl-1-propanol 1-苯丙醇

CAS 93-54-9 MFCD00004564

化学结构图

93-54-9
SMILES: CCC(O)c1ccccc1

化学属性

Mol. FormulaC9H12O
Mol. Weight136.19
Refractive index1.5190 to 1.5220
Boiling Point219 °C at 760 mmHg
Density0.99
Flash Point90°C(lit.)
TSCANo
Solubility不溶
Appearance 无色油状液体。沸点219℃，相对密度0.9915（25/4℃），折光率1.5169（23℃）。闪点90℃。能与甲醇、乙醇、乙醚、苯和甲苯混溶和甲苯混溶。微芳香，味辛甜。

别名和识别编码

Chemical Name1-Phenyl-1-propanol
Synonym 1-Phenyl-1-propanol {LY} 1-Phenyl-1-propanol {} {LY} 1-Phenyl-1-propanol {} {} {LY} 1-Phenyl-1-propanol {} {} {} {LY} 1-Phenyl-1-propanol {} {} {} {} {LY} 1-Phenyl-1-propanol {} {} {} {} {} {} {} {} {} {} {LY} 1-Phenyl-1-propanol {} {} {} {} {} {} {LY} 1-Phenyl-1-propanol {} {} {} {} {} {} {} {LY} 1-Phenyl-1-propanol {} {} {} {} {} {} {} {} {LY} 1-Phenyl-1-propanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Phenyl-1-propanol {} {} {} {} {} {} {} {} {} {} {LY} 1-Phenyl-1-propanol {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Phenyl-1-propanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Phenyl-1-propanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Phenyl-1-propanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Phenyl-1-propanol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Phenyl-1-propanol {} {} {} {} {} {} {} {} {} {}
CAS Number93-54-9
PubChem Substance ID87574458
EC Number202-256-0
Beilstein Registry Number1906759
MDL NumberMFCD00004564
Reaxys-RN1906759
Merck Number3768
Chemical Name Translation1-苯丙醇
Wiswesser Line NotationQY2&R
LabNetwork Molecule IDLN00240854
InChIInChI=1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3
Canonical SMILESCCC(C1=CC=CC=C1)O
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信息真实价格透明    资金保障    专业采购外包团队在线服务   
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分类

  • {SNA} Alphabetical Listings, Flavors and Fragrances, O-P
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; alcohol; racemate; 1fragment
  • Alcohols, Building Blocks, C9 to C10, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds
  • {Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragra

相关文献及参考

  • Short: III/38B
  • Short: EINECS
  • Short: IV/6
  • Merck: 14,3768 Beilstein:6,502
  • Short: IV/16
  • Short: IV/18B
  • Merck: 14,3768

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H227 Combustible liquid 可燃液体
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xn
RTECSDO5470000
Signal word Warning {} {} {} {} {} {} {} {} {} {TCI}
Safety Statements
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • 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 Wear suitable protective clothing 穿戴适当的防护服；
  • 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；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • 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。
  • 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。
  • 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+P312+P330
  • P305+P351+P338
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
UN Number 2810 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 700 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 116,154,1958

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 116,154,1958

Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°

其他信息

  • Alfa Aesar:(±)-1-苯基-1-丙醇,98+% (+/-)-1-Phenyl-1-propanol, 98+%(93-54-9)
  • FEMA:2884
  • 毒性:GRAS(FEMA)。
  • 用途一:该品用作香料、传热介质，也是一种利胆药。作为药物时也称利胆醇，能促进胆汁分泌，有利消化、增加食欲、排出结石、降低血胆固醇。适用于胆囊炎、胆道感染、胆石症、胆道术后综合症、高胆固醇血症。大鼠口服LD50为1.6ml/kg。
  • Acros Organics:1-苯基-1-丙醇 1-Phenyl-1-propanol, 99%(93-54-9)
  • 1-苯丙醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30145381 1-苯-1-丙醇 100ml 498元 2011/04/16 P0212 1-苯基-1-丙醇 1-Phenyl-1-propanol 500G 1630元 2011/04/16 P0212 1-苯基-1-丙醇 1-Phenyl-1-propanol 25G 211元
  • 使用限量:FEMA(mg/kg)：饮料、冷饮，0.50；糖果、焙烤制品，1.5。 适量为限(FDA，§172．515，2001)。
  • 能与甲醇、乙醇、乙醚、苯和甲苯混溶和甲苯混溶,微芳香，味辛甜,不溶于水。
  • MOL 文件:93-54-9.mol
  • 方法一:由苯丙酮在乙醇中用钾硼氢还原而得。将苯丙酮、乙醇加入反应锅内，冷却搅拌下分次辊入钾硼氢，滴加盐酸调节pH至9-9.5，控制温度不超过30℃。反应结速后用盐酸中和至中性，蒸馏回收乙醇，冷却分层，分去水层后进行减压蒸馏，收集108-116℃（2.66kPa）馏分，即为1-苯丙醇。收率96%。
  • 图谱信息:1-苯丙醇(93-54-9)核磁图( 13 CNMR) 1-苯丙醇(93-54-9)Raman光谱 1-苯丙醇(93-54-9)红外图谱(IR1) 1-苯丙醇(93-54-9)质谱(MS) 1-苯丙醇(93-54-9)核磁图( 1 HNMR)
  • Sigma Aldrich:93-54-9(sigmaaldrich)
  • 海关编码:29062900
  • 上游原料:硼氢化钾 --> 苯丙酮
  • MSDS 信息:alpha-Ethylbenzyl alcohol(93-54-9).msds
  • TCI Shanghai:1-苯基-1-丙醇 1-Phenyl-1-propanol,>;97.0%(GC)(93-54-9)
  • 参考质量标准:FAO/WHO，2001 含量(GT-10-4) ≥97% 折射率(n D 20 ) 1.517～1.522 相对密度(d 25 25 ) 0.993～1.000

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. O-P - Alphabetical Listings
  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
  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