Benzaldehyde 苯甲醛

CAS 100-52-7 MFCD00003299

化学结构图

100-52-7
SMILES: O=Cc1ccccc1

化学属性

Mol. Weight106
Autoignition Point374 °F
Refractive index1.5440 to 1.5470
Vapor Density3.65 (vs air)
Boiling Point179
Vapor Pressure4 mmHg ( 45 °C)
Melting Point-26
Flash Point62°C(lit.)
TSCAYes
Solubility微溶于水,可混溶于乙醇、乙醚、苯、氯仿。
Stability对光敏感
Density1.043
Mol. FormulaC7H6O
pH:A

别名和识别编码

Chemical NameBenzaldehyde
MDL NumberMFCD00003299
CAS Number100-52-7
Synonym 苯甲醛, 99+% Artificial bitter almond oil 安息香醛 Benzoic aldehyde Benzene carbaldehyde BENZALDEHYDE 苯甲醛,苯醛 OIL OF BITTER ALMOND 苄醛 合成苦杏仁油 苯亚甲基醛, 99+% Artifical essential oil of almond 天然苯甲醛 LABOTEST-BB LT00939687 苯醛 NCI-C56133 Almond artificial essential oil BALD artificialalmondoil almondartificialessentialoil 苯甲醛 BENZALDEHYDE 苯甲醛 Artificial almond oil ARTIFICIAL ESSENTIAL OIL OF ALMOND BENZYL ALDEHYDE 安息香醛,人造苦杏仁油,苦杏仁油,苯醛 人造苦杏仁油 Benzoic aldehyde; Phenylmethanal Phenylmethanal benzaldehydeffc FEMA 2127 Benzenecarbonal 苯亚甲基醛 phenylmethanal Benzaldehyde FFC BENZOIC ALDEHYDE AKOS BBS-00003184 Artificial Almond Oil BITTER ALMOND OIL Artificial essential oil of almond BENZENECARBONAL
PubChem Substance ID87565188
EC Number202-860-4
Beilstein Registry Number471223
Merck Number1058
Reaxys-RN471223
Chemical Name Translation苯甲醛
Wiswesser Line NotationVHR
LabNetwork Molecule IDLN00193117
InChIInChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
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分类

  • {SNA} Aldehydes,
  • {SNA} A - D, A-B, A-D, Alphabetical Listings, Certified Food Grade Products, Certified Natural Products, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products
  • {SNA} Analytical Standards, EP Standards, EP Standards A - B, Pharmacopeia Metrological Institutes Standards, 分析/色谱
  • {SNA} A - D, A-B, A-D, Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products
  • {SNA} Aldehydes, Building Blocks, C7, Carbonyl Compounds, Chemical Synthesi

产品应用

  • 有机合成, 溶剂, 测定臭氧及位于羰基旁边的亚甲基,检定酚和生物碱,香料制备。

相关文献及参考

  • Also used for protection of 1,2- and 1,3-diols as cyclic benzylidene acetals, e.g. by azeotroping in the presence of TsOH: J. Am. Chem. Soc., 104, 7036 (1982). See also Benzaldehyde dimethyl­ acetal, A11009.
  • For use in protection of amines as benzylidine imines, readily cleaved by acid hydrolysis or hydrogenolysis, see, e.g.: Synthesis, 963 (1989); Synlett, 161 (1990); Org. Synth. Coll., 7, 8 (1990).
  • Merck:14,1058
  • Merck:14,1058 Beilstein:7(4)505

安全信息

GHS Symbol
WGK Germany1
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H302+H312
  • 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
RTECSCU4375000
Signal word Warning
Packing GroupIII
UN Number 1990
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
Safety Statements
  • S24 Avoid contact with skin 避免皮肤接触;
Storage condition 密封阴凉干燥避光保存。 Air Sensitive
Hazard Codes 9
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • 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。
  • 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。
  • 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。
  • 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+P310
  • P301+P312+P330
  • P302+P350
  • P302+P352+P333+P313+P362+P364
  • P304+P340+P312
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P308+P311
  • P308+P313
  • P337+P313
  • P370+P378
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard Class9
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 154 gm/kg/2Y-C
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Gastrointestinal - tumors
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NTP-TR-378,1990

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 5 gm/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - respiratory depression
   Lungs, Thorax, or Respiration - other changes
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: 27,163,1922

TYPE OF TEST            : LC - Lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >500 mg/m3
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - conjunctive irritation
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 18(11),40,1974

TYPE OF TEST            : LC - Lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >500 mg/m3
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - conjunctive irritation
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 18(11),40,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATIO

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 1 mmol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 206,17,1988

TYPE OF TEST            : Mutation in mammalian somatic cells
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 400 mg/L
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NTP-TR-378,1990

TYPE OF TEST            : Specific locus test
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 400 mg/L
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   17,196,1991

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 1 gm/L
REFERENCE :
   ESKHA5 Eisei Shikenjo Hokoku.  Bulletin of the Institute of Hygienic
   Sciences.  (Kokuritsu Eisei Shikenjo Kagaku, 18-1 Bushitsu Johobu,
   Setagaya-ku, Tokyo 158, Japan)  V.1-    1886-  Volume(issue)/page/year:
   (103),64,1985

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 50 mg/L
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   10(Suppl 10),1,1987

其他信息

  • 毒性:ADI 0~5mg/kg(FAO/WHO-1994)。
  • MOL 文件:100-52-7.mol
  • 可燃性危险特性:食之中枢神经压抑以至惊厥;遇明火、高温、强氧化剂可燃;燃烧排放刺激
  • 参考质量标准:FCC,1996 含量 ≥98.0% 折射率(n D 20 ) 1.544~1.547 相对密度(d 25 25 ) 1.041~1.046 氯化物试验(OT-13) 阴性 氢氰酸试验 阴性(<0.15%)
  • 强折射率的挥发性油状液体,有似苦杏仁味,燃烧时具有芳香气味。自燃点192℃。可燃。有强折光性。能随水蒸气一起挥发,久贮变黄。不稳定,在空气中能逐渐氧化成苯甲酸,在光线照射下更甚。能与醇、醚及油类混溶,微溶于水。能还原银氨溶液,但不能还原裴林氏溶液。低毒,半数致死量(大鼠,经口)1300mg/kg。
  • 概述:苯甲醛又称为安息香醛,为苯的氢被醛基取代后形成的有机化合物 苯甲醛为最简单的,同时也是工业上最常为使用的芳醛。在室温下其为无色液体,具有特殊的杏仁气味。苯甲醛是醛基直接与苯基相连接而生成的化合物,因为具有类似苦杏仁的香味,曾称苦杏仁油。苯甲醛广泛存在于植物界 ,特别是在蔷薇科植物中,主要以苷的形式存在于植物的茎皮、叶或种子中,例如苦杏仁中的苦杏仁苷,樱桃,月桂树叶,桃核。苯甲醛天然存在于苦杏仁油、藿香油、风信子油、依兰依兰油等精油中。该化合物也在果仁和坚果中以和糖苷结合的形式(苦杏苷,Amygdalin)存在。苯甲醛的化学性质与脂肪醛类似,但也有不同。苯甲醛不能还原费林试剂;用还原脂肪醛时所用的试剂还原苯甲醛时,除主要产物苯甲醇外,还产生一些四取代邻二醇类化合物和均二苯基乙二醇。在氰化钾存在下,两分子苯甲醛通过授受氢原子生成安息香。苯甲醛还可进行芳核上的亲电取代反应,主要生成间位取代产物,例如硝化时主要产物为间硝基苯甲醛。当今苯甲醛主要由甲苯通过不同的途径制备。
  • 所属类别一:食品添加剂: 食用香料(增香剂): 天然等同香料和人造香料
  • 方法三:苯甲醛广泛存在于植物中,特别是在蔷薇科植物中,主要以苷的形式存在于植物的茎皮,叶或种子中,例如苦杏仁中的苦杏仁苷。苯甲醛的工业生产方法主要有两大类:分别以甲苯和苯为原料。实验室制备还可采用催化(钯/硫酸钡)还原苯甲酰氯的方法。1.甲苯氯化再水解法 以甲苯为原料,在光照下进行氯化,得混合氯苄。原料消耗定额:甲苯1700kg/t、氯气3000kg/t、纯碱1500kg/t。2.苯甲醇氧化法 氯苄水解得苯甲醇,再经氧化得苯甲醛。3.甲苯直接氧化法 苯甲醛是甲苯氧化制苯甲酸的中间产物。甲苯→苯甲醇→苯甲醛→苯甲酸。4.以苯为原料 在加压和三氯化铝作用下,苯与一氧化碳和氯化氢反应得。工业品苯甲醛的含量在98.5%以上。
  • 使用限量:FEMA(mg/kg):软饮料36;冷饮42;糖果120;焙烤食品110;布丁类160;胶姆糖840酒类50~60。
  • 用途二:用作测定臭氧、酚、生物碱和位于羧基旁的亚甲基试剂
  • 制备:苯甲醛可由多种途径制备。工业中主要由甲苯在
  • 含量分析:按醛测定法(OT-6)进行。所取试样量为1g。计算中的当量因子(e)取53.06。 或按气相色谱法(GT-10-4)中非极性柱方法测定。
  • 减压蒸馏中苯甲醛的沸点:减压条件下 苯甲醛沸点会降低.正常情况下178℃,减压到0.1mpa,苯甲醛的沸点为110℃ 左右. 当然是油浴,水浴只能到100度
  • 如何鉴定苯甲醛?:可以通过外观与性状鉴定: 纯品为无色液体,工业品为无色至淡黄色液体,有苦杏仁气味,到这步,基本就可以断定是苯甲醛了,再者它微溶于水,可混溶于乙醇、乙醚、苯、氯仿。
  • 折光率与相对密度:香气:具有类似苦杏仁的香味。 沸点:178℃。 相对密度: 1.0415(10/4℃)。 折光率:1.544-1.547 。
  • 用途一:重要的化工原料,用于制月桂醛、月桂酸、苯乙醛和苯甲酸苄酯等,也用作香料
  • 储运特性:包装完整、轻装轻放; 库房通风、远离明火、高温、与氧化剂分开存放
  • 蒸气压:4 mm Hg ( 45 °C)
  • 爆炸物危险特性:强还原剂, 与氧

系列性分类


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