2-Hydroxyacetophenone 邻羟基苯乙酮

CAS 118-93-4 MFCD00002219

化学结构图

118-93-4
SMILES: CC(=O)c1ccccc1O

化学属性

Mol. FormulaC8H8O2
Mol. Weight136.15
Density1.131
Refractive index1.5570 to 1.5610
Flash Point106°C
TSCAYes
Boiling Point218.4°C at 760 mmHg
Melting Point3-6°C
Vapor Density4.7 (vs air)
Vapor Pressure~0.2 mmHg ( 20 °C)
Stability对光敏感
Solubilityslightly soluble

别名和识别编码

Chemical Name2-Hydroxyacetophenone
CAS Number118-93-4
Alfabeta NameHYDROXYACETOPHENONE 2-'
MDL NumberMFCD00002219
EC Number204-288-0
Beilstein Registry Number386123
Reaxys-RN386123
PubChem Substance ID8375
Synonym 2'-Hydroxyacetophenone {LY} 2'-Hydroxyacetophenone {} {LY} 2'-Hydroxyacetophenone {} {} {LY} 2'-Hydroxyacetophenone {} {} {} {LY} 2'-Hydroxyacetophenone {} {} {} {} {LY} 2'-Hydroxyacetophenone {} {} {} {} {} {LY} 2'-Hydroxyacetophenone {} {} {} {} {} {} {LY} 2'-Hydroxyacetophenone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2'-Hydroxyacetophenone {} {} {} {} {} {} {} {} {LY} 2'-Hydroxyacetophenone {} {} {} {} {} {} {} {} {} {LY} 2'-Hydroxyacetophenone {} {} {} {} {} {} {} {} {} {} {LY} 2'-Hydroxyacetophenone {} {} {} {} {} {} {} {} {} {} {} {LY} 2'-Hydroxyacetophenone {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2'-Hydroxyacetophenone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2'-Hydroxyacetophenone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2'-Hydroxyacetophenone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2'-Hydroxyacetophenone {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation邻羟基苯乙酮
Wiswesser Line NotationQR BV1
LabNetwork Molecule IDLN00007990
InChIInChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3
Canonical SMILESCC(C1=CC=CC=C1O)=O
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分类

  • {SNA} Alphabetical Listings, Flavors and Fragrances, G-H
  • {Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香
  • {SNA} Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

产品应用

  • 用于有机合成。

相关文献及参考

  • Beilstein:8,85

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany2
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 Wear suitable protective clothing 穿戴适当的防护服；
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
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。
  • 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+P337+P313
  • 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
RTECSAM8575000
Hazard statements
  • 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
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xi
Storage condition 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°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD277-689

其他信息

  • 蒸气压:~0.2 mm Hg ( 20 °C)
  • 检测方法:GC
  • MSDS 信息:2'-Hydroxyacetophenone(118-93-4).msds
  • FEMA:3548
  • Hazard Note:Harmful/Irritant
  • 使用限量:FEMA(mg/kg)：焙烤制品、小吃食品，0.2；肉制品、汤品、肉羹、禽制品、调味料、速溶咖啡和茶、家用调味香料，0.1。
  • 下游产品:4-羟基香豆素 --> 3-氯杀鼠灵酮 --> 对羟基苯乙酮 --> 1,2-苯并异噁唑-3-乙酸 --> 4-氨基-苯并吡喃-2-酮 --> 3-甲基苯并呋喃-2-羧酸 --> 2-苄氧基苯乙酮 --> 3-溴色酮,97% --> 3-乙酰氧基苯并[b]呋喃 --> 2,3-二羟芴 --> 色酮-3-甲醛 --> 2-溴-2'-羟基苯乙酮 --> 2-[1-(1H-咪唑-1-基)乙烯基]苯酚 --> 盐酸普罗帕酮
  • 海关编码:29145000
  • TCI Shanghai:2'-羟基苯乙酮 2'-Hydroxyacetophenone,>;98.0%(LC)(T)(118-93-4)
  • 对光敏感。能与乙醇、乙醚和乙酸混溶，微溶于水。有刺激性。
  • Alfa Aesar:2-羟基苯乙酮,,98% 2'-Hydroxyacetophenone, 98%(118-93-4)
  • 对光敏感。能与乙醇、乙醚和乙酸混溶，微溶于水。有刺激性
  • 蒸气密度:4.7 (vs air)
  • 用途三:以羟取代苯甲醛和邻羟基苯乙酮（118-93-4）为原料、哌啶为催化剂,通过羟醛缩合反应合成4,2'-二羟基查尔酮。
  • Acros Organics:邻羟基苯乙酮 2'-Hydroxyacetophenone, 99%(118-93-4)
  • 用途一:用于合成医药中间体
  • 毒性:GRAS(FEMA)。
  • Sigma Aldrich:118-93-4(sigmaaldrich)
  • 外观:白色或淡黄色固体，黄色透明至棕色液体
  • 图谱信息:2'-羟基苯乙酮(118-93-4)质谱(MS) 2'-羟基苯乙酮(118-93-4)红外图谱(IR1) 2'-羟基苯乙酮(118-93-4)核磁图( 13 CNMR) 2'-羟基苯乙酮(118-93-4)Raman光谱 2'-羟基苯乙酮(118-93-4)核磁图( 1 HNMR)
  • 2'-羟基苯乙酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 H0192 2'-羟基苯乙酮 2'-Hydroxyacetophenone 500G 772元 2014/06/02 H0192 2'-羟基苯乙酮 2'-Hydroxyacetophenone 25G 169元 2010/06/21 120930050 2'-羟基苯乙酮 2'-Hydroxyacetophenone 99% 5 GR 200元
  • 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-羟基苯乙酮 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
  • F:8
  • 参考质量标准:FAO/WHO，2000 含量(GT-10-4) ≥95% 折射率(n D 20 ) 1.556～1.560 相对密度(d 25 25 ) 1.127～1.133
  • 用途二:心律平的中间体。
  • MOL 文件:118-93-4.mol

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. G-H - 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. C7 to C8 - 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 - Carbonyl Compounds
  6. C7 to C8 - 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
  6. C3 to C6

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