Benzophenone 二苯甲酮

CAS 119-61-9 MFCD00003076

化学结构图

119-61-9
SMILES: O=C(c1ccccc1)C1CCCCC1

化学属性

Mol. FormulaC13H10O
Mol. Weight182.22
Boiling Point305 °C at 760 mmHg
Melting Point47-51 °C
Density1.11
Flash Point>110°C
TSCAYes
Vapor Pressure1 mmHg ( 108 °C)
Refractive index1.5893
Solubility不溶 (<0.1 G/100 ML AT 25 ºC)
Stability对光敏感
Appearance 白色有光泽的棱形结晶。熔点48.5℃，沸点305.4℃，224.4℃（13.3kPa），141.7℃（0.67kPa），相对密度1.1146（20/4℃），折光率1.6077（19℃）。溶于乙醇、乙醚、氯仿，不溶于水。有甜味，具玫瑰香味。二苯甲酮(119-61-9)主要有两种晶态；α型为棱形晶体，熔点48.1℃，相对密度1.146（20/4℃）；β-型为不稳定的单斜晶体，熔点26℃，相对密度1.1076。β型能自行转变为α型。二苯甲酮的醇溶液在光照下不稳定，可生成频哪醇类化合物。

别名和识别编码

Chemical NameBenzophenone
CAS Number119-61-9
Synonym Benzophenone {LY} Benzophenone {} {LY} Benzophenone {} {} {LY} Benzophenone {} {} {} {LY} Benzophenone {} {} {} {} {LY} Benzophenone {} {} {} {} {} {LY} Benzophenone {} {} {} {} {} {} {LY} Benzophenone {} {} {} {} {} {} {} {LY} Benzophenone {} {} {} {} {} {} {} {} {LY} Benzophenone {} {} {} {} {} {} {} {} {} {LY} Benzophenone {} {} {} {} {} {} {} {} {} {} {LY} Benzophenone {} {} {} {} {} {} {} {} {} {} {} {LY} Benzophenone {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzophenone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzophenone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzophenone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzophenone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzophenone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY}
PubChem Substance ID87563284
EC Number204-337-6
Beilstein Registry Number7,411
MDL NumberMFCD00003076
Reaxys-RN1238185
Merck Number1098
Chemical Name Translation二苯甲酮
Wiswesser Line NotationRVR
LabNetwork Molecule IDLN00196193
Canonical SMILESO=C(C1=CC=CC=C1)C2=CC=CC=C2
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分类

  • {SNA} A-F, Additional Standards, Analytical Standards, Chemical Class, Chromatography, Food & Beverage Standards, Food and Cosmetic Component Standards, Pharmaceutical Secondary Standards, Pharmaceutical Standards, Phenol, Phenols, 分
  • {SNA} 3D Printing Materials for Research and Development,

产品应用

  • 二苯甲酮是紫外线吸收剂和引发剂，有机颜料，医药，香料，杀虫剂的中间体，医药工业中用于生产双环乙哌啶，苯甲托品氢溴酸盐，苯海拉明盐等，也是苯乙烯聚合抑制剂和香料定香剂，能赋予香料以甜的气息，用在许多香水和皂用香精中。

相关文献及参考

  • Wallace, W., et al.: Environ. Toxicol. Chem., 19, 962 (2000),
  • Merck: 14,1098 Beilstein:7,411
  • Merck: 14,1098
  • Bechard, K., et al.: Aquat. Toxicol., 90, 310 (2008),
  • Hayashi, T., et al.: Toxicol. Lett., 167, 1 (2006),
  • Short: II/2
  • For a review of the use of benzophenone as a triplet-sensitizer in photochemistry, see: Synthesis, 249 (1981).
  • Short: II/24B

安全信息

GHS Symbol
WGK Germany1
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
  • H351 Suspected of causing cancer 怀疑致癌
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes
RTECSDI9950000
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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。
  • P305+P351+P338
  • 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。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P405 Store locked up. 上锁保管。
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P305+P351+P338+P337+P313
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P301+P312+P330
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • 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。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
  • P308+P313
Signal word
Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
  • S29 Do not empty into drains 不要排入下水道；
  • 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；
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • S57 Use appropriate containment to avoid environmental contamination 使用适当容器避免环境污染；
  • 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；
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • S33 Take precautionary measures against static discharges 对静电采取预防措施；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S62 If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label where possible 吞食后不要催吐：立即求医并出示该容器或标签；
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
UN Number UN3077 UN 3077 9/PG 3 3077
Packing GroupIII
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Hazard Class9 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >10 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 11,873,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 3535 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 11,873,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 727 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - tremor
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   EJTXAZ European Journal of Toxicology and Environmental Hygiene.  (Paris,
   France)  V.7-9, 1974-76. For publisher information, see TOERD9.
   Volume(issue)/page/year: 9,99,1976

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2895 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - tremor
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   EJTXAZ European Journal of Toxicology and Environmental Hygiene.  (Paris,
   France)  V.7-9, 1974-76. For publisher information, see TOERD9.
   Volume(issue)/page/year: 9,99,1976

其他信息

  • {Chem
  • 用途一:常用于香皂香精，用于紫外线吸收剂、颜料、医药与试剂的生产，也是氟橡胶的低温快速硫化剂
  • 毒性分级:中毒
  • {Chemical
  • 参考质量标准:FCC，1997 凝固点 ≥47℃ 含量 ≥98.0% 铅(GT-18) ≤10mg/kg 重金属(以Pb计，GT-16-2，试样500mg) ≤0.004% 氯化物试验(OT-13) 阴性 醇中溶解度 1g溶于10mL 80%乙醇
  • 方法二:可有多种制法。1.由氯苄经与苯缩合，再经硝酸氧化而得。2.由苯经与四氯化碳缩合，再经水解而得。在实验室中，是以三氯化铝作催化剂，使苯与苯甲酰氯反应制备。
  • 可燃性危险特性:受热较易燃; 燃烧产生刺激烟雾
  • 图谱信息:二苯甲酮(119-61-9)核磁
  • F:10
  • 蒸气密度:4.21 (vs air)
  • 急性毒性:口服-小鼠 LD50: 2895 毫克/公斤; 腹腔-小鼠 LD50: 727 毫克/公斤
  • Sigma Aldrich:119-61-9(sigmaaldrich)
  • 用途七:二苯甲酮是紫外线吸收剂和引发剂，有机颜料，医药，香料，杀虫剂的中间体，医药工业中用于生产双环乙哌啶，苯甲托品氢溴酸盐，苯海拉明盐等，也是苯乙烯聚合抑制剂和香料定香剂，能赋予香料以甜的气息，用在许多香水和皂用香精中。
  • MSDS 信息:Ben
  • 用途四:可作为定香剂使用。其弱甜香香叶香，可广泛用于中、低档香精中，如玫瑰、香叶、甜豆花、含羞花、铃兰、葵花、草兰、山楂花、香薇及东方香型等香精。皂中亦用作抗氧剂，偶尔也微量用于杏
  • 用途七:二苯甲酮是紫外线吸收剂和引发剂，有机颜料，医药，香料，杀虫剂的中间体，医药工业中用于生产双环乙哌啶，苯甲托品氢溴酸盐，苯海拉明盐
  • 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） 二苯甲酮 食品 食品用香料 用
  • 下游产品:3-吖丁啶羧酸 --> 4-甲氧基三苯基氯甲烷 --> N-Boc-3-羟基氮杂环丁烷 --> 1-氨基环丙基甲腈 --> 2-氨基
  • 毒性:GRAS(FEMA)。 LD 50 2897mg/kg(小鼠，经口)。
  • 大分子量二苯甲酮光引发剂的合成及动力学研究:以4-羟基二苯甲酮(HBP)、甲苯-2,4-二异氰酸酯(TDI)、4,4‘-二羟基二苯甲酮(DHBP)为原料,通过两步反应,合成了一种大分子量二苯甲酮光引发剂:HBP-TDI-DHBP-TDI-HBP(HTDTH).通过实时红外研究了HTDTH的光聚合动力学.结果表明,HTDTH是一种有效的光引发剂.采用HTDTH/胺光引发体系引发二缩三丙二
  • Acros Organics:二苯甲酮 Benzophenone, pure, 99+%(119-61-9)
  • 用途六:二苯甲酮是紫外线吸收剂、有机颜料、医药、香料、杀虫剂的中间体。医药工业中用于生产双环己哌啶、苯甲托品氢溴酸盐，苯海拉明盐酸盐等。该品本身也是苯乙烯聚合抑制剂
  • 类别:易燃液体
  • 图谱信息:二苯甲酮(1
  • 二苯甲酮干燥有机溶剂时的显色机理:二苯甲酮 和金属钠反应生成一个显蓝色的中间体1,如果溶剂中有水,继续反应生成无色的化合物2.如果没水了就停留在中间体1的蓝色状态.二苯甲酮的作用相当于酸碱滴定分析过程的指示剂，少量存在与蒸馏残液中，与残液一起做一般废液或废渣处理，不需要特殊的处理方式。
  • 灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
  • 二苯甲酮在防晒化妆品领域应用:防晒化妆品是化妆品领域的热点新产品，目前市场上几乎所有的防晒品都含有二苯甲酮类化合物。二苯甲酮类化合物能保护皮肤免受伤害，常用来生产高产品。近年二苯甲酮在化妆品中的消费量不断增长。近期的研究认为，荧光也是有害紫外光源，因此二苯甲酮在化妆品领域的应用范围不断扩大，已扩展到发用调

系列性分类

  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Bioactive Small Molecules - Cell Biology
  4. B - Bioactive Small Molecules
  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Bioactive Small Molecules - Cell Biology
  4. M - Bioactive Small Molecules
  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Kosher Certified Products - Flavors and Fragrances
  4. A-D - Kosher Certified Products
  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. Heterocyclic Building Blocks 杂环合成砌块
  4. Others 其他杂环
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Others 其他杂环
  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. Carboxylic Acids - Carbonyl Compounds
  6. C7 - Carboxylic Acids
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Method Specific - Analytical Standards
  4. European Community: ISO, DIN and DL 152 - Method Specific
  5. 2000/60/EC - European Community: ISO, DIN and DL 152
  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. C13 to C14 - Ketones
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. B - Alphabetic
  5. BA - BH - B
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. M - Alphabetic
  5. MEA - MES - M
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. M - Alphabetic
  5. METI - MZ - M
  1. Materials Science 材料科学
  2. Products for Polymer Science Research
  3. Polymerization Initiators - Polymer Science
  4. Organic Photoinitiators - Polymerization Initiators
  5. Benzophenone - Organic Photoinitiators
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Food &amp; Beverage Standards - Chromatography
  5. Nutraceuticals - Food &amp; Beverage Standards
  6. Flavors and Fragrances - Nutraceuticals
  7. A-F - Flavors and Fragrances
  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 acids
  1. Analytical & Chromatography 分析化学与色谱
  2. Environmental Endocrine Disruptors
  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. Carboxylic Acids
  6. C6
  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. C11 to C12
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Polymerization Initiators
  4. Organic Photoinitiators
  5. Benzil and Benzoin Compounds
  1. Materials Science 材料科学
  2. Photopolymerization Initiators
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)