1-Phenylbutan-1-one 苯丁酮

CAS 495-40-9 MFCD00009397

化学结构图

495-40-9
SMILES: CCCC(=O)C1CCCCC1

化学属性

Mol. FormulaC10H12O
Mol. Weight148.20
Refractive index1.5190 to 1.5210
Boiling Point228.5°C at 760 mmHg
Density1.021
Melting Point11-13°C
Flash Point93.6°C
TSCAYes
Appearance 无色或淡黄色液体。熔点11-13℃，沸点218-221℃（228-229℃），110℃（1.33kPa），相对密度0.988（20/20℃），折光率1.5203，闪点88℃。能与醇、醚混溶，易溶于丙酮，不溶于水。

别名和识别编码

Chemical Name1-Phenylbutan-1-one
Synonym Butyrophenone {LY} Butyrophenone {} {LY} Butyrophenone {} {} {LY} Butyrophenone {} {} {} {LY} Butyrophenone {} {} {} {} {LY} Butyrophenone {} {} {} {} {} {LY} Butyrophenone {} {} {} {} {} {} {LY} Butyrophenone {} {} {} {} {} {} {} {LY} Butyrophenone {} {} {} {} {} {} {} {} {LY} Butyrophenone {} {} {} {} {} {} {} {} {} {LY} Butyrophenone {} {} {} {} {} {} {} {} {} {} {LY} Butyrophenone {} {} {} {} {} {} {} {} {} {} {} {LY} Butyrophenone {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butyrophenone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butyrophenone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butyrophenone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butyrophenone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butyrophenone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butyrophenone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
CAS Number495-40-9
PubChem Substance ID87563767
EC Number207-799-7
Beilstein Registry Number508305
MDL NumberMFCD00009397
Reaxys-RN508305
Chemical Name Translation苯丁酮
LabNetwork Molecule IDLN00223021
InChIInChI=1S/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
Canonical SMILESCCCC(C1=CC=CC=C1)=O
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分类

  • {SA} Building Blocks, C10, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • {SNA} A-B, Alphabetical Listings, Flavors and Fragrances
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ketone; 1fragment
  • Building Blocks, C10, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

产品应用

  • 有机合成中间体。

相关文献及参考

  • Short: II/27B
  • Short: II/5
  • Beilstein:7,313

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H318 Causes serious eye damage 严重伤害眼睛
  • 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 Xi
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。
  • 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
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
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；
  • S36/37/39 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
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • MOL 文件:495-40-9.mol
  • 海关编码:29143900
  • 下游产品:利尿酸 --> 氟哌啶醇
  • 能与醇、醚混溶，易溶于丙酮，不溶于水。
  • 上游原料:正丁酰氯
  • 图谱信息:苯丁酮(495-40-9)质谱(MS) 苯丁酮(495-40-9)核磁图( 13 CNMR) 苯丁酮(495-40-9)红外图谱(IR1)
  • Alfa Aesar:正丁苯酮,99% n-Butyrophenone, 99%(495-40-9)
  • 用途一:有机合成中间体。
  • 苯丁酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0769 丁酰苯 Butyrophenone 500ML 2380元 2014/06/02 B0769 丁酰苯 Butyrophenone 25ML 261元 2010/06/21 154411000 苯丁酮 n-Butyrophenone 99% 100 ML 869元
  • Acros Organics:苯丁酮 n-Butyrophenone, 99%(495-40-9)
  • 方法一:由丁酰氯与苯反应而得。在搅拌下向苯和无水三氯化铝混合物中滴加丁酰氯，保温反应3-4h后冷至40℃以下，将反应物在冰水及盐酸的混合物中分层，取苯层用水、5%氢氧化钠溶液、水先后洗涤，洗至中性，经干燥后回收苯，最后分馏，收集182.5-184.5℃馏分即为成品。
  • TCI Shanghai:苯丁酮 Butyrophenone,>;99.0%(GC)(495-40-9)
  • MSDS 信息:n-Butyrophenone(495-40-9).msds
  • Sigma Aldrich:495-40-9(sigmaaldrich)

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. A-B - 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. Carbonyl Compounds 羰基化合物
  5. Ketones - Carbonyl Compounds
  6. C10 - Ketones
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aromatic Ketones
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Ketones 酮