Benzyl formate 甲酸苄酯

CAS 104-57-4 MFCD00014128

化学结构图

104-57-4
SMILES: O=COCc1ccccc1

化学属性

Mol. FormulaC8H8O2
Mol. Weight136.15
Refractive index1.5100 to 1.5200
Boiling Point203 °C at 760 mmHg
Density1.088
Flash Point94°C(lit.)
TSCAYes
Solubility不溶于水,可混溶于醇、酮、芳烃、卤代烃。
Melting Point3.6 °C

别名和识别编码

Chemical NameBenzyl formate
MDL NumberMFCD00014128
CAS Number104-57-4
Synonym Benzyl formate {LY} Benzyl formate {} {LY} Benzyl formate {} {} {LY} Benzyl formate {} {} {} {LY} Benzyl formate {} {} {} {} {LY} Benzyl formate {} {} {} {} {} {LY} Benzyl formate {} {} {} {} {} {} {LY} Benzyl formate {} {} {} {} {} {} {} {LY} Benzyl formate {} {} {} {} {} {} {} {} {LY} Benzyl formate {} {} {} {} {} {} {} {} {} {LY} Benzyl formate {} {} {} {} {} {} {} {} {} {} {LY} Benzyl formate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl formate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl formate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl formate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl formate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl formate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl formate {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID7708
EC Number203-214-4
Merck Number1134
Beilstein Registry Number2041319
Reaxys-RN2041319
Chemical Name Translation甲酸苄酯
Wiswesser Line NotationVHO1R
LabNetwork Molecule IDLN00225175
InChIInChI=1S/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2
Canonical SMILESO=COCC1=CC=CC=C1
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分类

  • {Chemicalbook} 食品添加剂: 食用香料(增香剂): 天然等同香料和人造香
  • {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
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment
  • {SNA} A-B, A-D, Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Follows IFRA Guidelines, Kosher Certified Products
  • {SNA} A-B, A-D, Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Kosher Certified Products
  • {SNA} A - D, A-B,

相关文献及参考

  • Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds, oils, paraffins and polyethylenes; Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds. The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005. The calculated values of diamagnetic susceptibility of organic compounds in the present subvolume II/27B are presented along with their experimental values. They have been calculated with the use of structural parameters in structural formula by using different theoretical methods available in the literature.
  • Short: II/5 Title: Molecular Acoustics Author: Schaaffs, W. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: II/5 Year: 1967 ISBN: 3-540-03897-3 ISBN: 978-3-540-03897-9 Internet Resource: DOI:10.1007/b19950 RefComment: 321 figs., XII, 286 pages, Hardcover
  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-5

安全信息

GHS Symbol
WGK Germany1
Hazard statements
  • H302+H312
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSLQ5400000
Precautionary statements
  • 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+P310
  • P301+P312+P330
  • P302+P352
  • P302+P352+P312+P362+P364
  • P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P501a
Signal word Danger
Risk Statements
  • R21/22 Harmful in contact with skin and if swallowed 皮肤接触和不慎吞咽有害
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;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • 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;
Hazard Codes Xn
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1400 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: 11,1019,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 2 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: 11,1019,1973

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Bacillus subtilis
DOSE/DURATION           : 22 mg/disc
REFERENCE :
   OIGZDE Osaka-shi Igakkai Zasshi.  Journal of Osaka City Medical Association.
    (Osaka-shi Igakkai, c/o Osaka-shiritsu Daigaku Igakubu, 1-4-54 Asahi-cho,
   Abeno-ku, Osaka, 545, Japan) V.24-    1975- Volume(issue)/page/year:
   34,267,1985

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

  • 上游原料:乙酐 --> 甲酸 --> 苄基氯 --> 苄醇 --> 甲酸钠 --> 甲酸酯
  • 毒性分级:中毒
  • 用途三:溶剂、香料。作溶剂可用于硝化纤维素、乙酸纤维素。用于香料方面,可调配各种香精,如调配素馨、橙花、月下香、风信子、石竹等花精油;也用于调制杏、桃、香蕉、李子、菠萝等食用香精。
  • 外观性质:具有芳香气味的无色液体。
  • 灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
  • 类别:有毒物品
  • 参考质量标准:FCC,1996 含量 ≥95.0% 相对密度 1.082 -1.092 折射率 1.508~1.515 酸值(OT-4) ≤3.0
  • 急性毒性:口服-大鼠 LD50: 1400 毫克/公斤; 皮肤-兔子 LD50: 2000 毫克/公斤
  • 方法二:由氯化苄与甲酸反应而得。将氯化苄、过量的甲酸钠和甲酸放在密封容器内,在140℃反应2h即得。或将无水甲酸在冷却下加入无水乙酸,将此混合液预热到50℃,缓缓加入苄醇,维持50℃反应,然后加水洗涤、干燥、分馏得成品。
  • 下游产品:(S)-2-(N,N-二取代氨甲基)二氢吲哚
  • FEMA:2145
  • 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) 甲酸苄酯 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
  • MSDS 信息:甲酸苄酯(104-57-4).msds
  • 用途二:常用于花香香基,但只能少量用于茉莉、晚香玉、橙花、风信子、葵花、香薇等香型和辛香型香精中。由于香气尖锐,调配后的香精要放置一段时间使之调和。由于味觉甜,可用于杏子、香蕉、凤梨、樱桃、桃子、梅子、李子、生梨、坚果、蜜香、巧克力等食用香精和酒用香精中。
  • 方法一:由苯甲醇与甲酸酯化而成。
  • Sigma Aldrich:104-57-4(sigmaaldrich)
  • 储运特性:通风低温干燥
  • MOL 文件:104-57-4.mol
  • 甲酸苄酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 F0050 甲酸苄酯 Benzyl Formate 500G 1050元 2014/06/02 F0050 甲酸苄酯 Benzyl Formate 25G 150元 2010/05/25 L13405 甲酸苯甲酯,97% Benzyl formate, 97% 25g 169元
  • 可燃性危险特性:可燃; 燃烧产生刺激烟雾; 高浓度时可能对人有麻醉作用
  • 图谱信息:甲酸苄酯(104-57-4)质谱(MS) 甲酸苄酯(104-57-4)核磁图( 13 CNMR) 甲酸苄酯(104-57-4)Raman光谱 甲酸苄酯(104-57-4)核磁图( 1 HNMR) 甲酸苄酯(104-57-4)红外图谱(IR2) 甲酸苄酯(104-57-4)红外图谱(IR1)
  • TCI Shanghai:甲酸苄酯 Benzyl Formate,>;95.0%(GC)(104-57-4)
  • Alfa Aesar:甲酸苯甲酯,97% Benzyl formate, 97%(104-57-4)
  • 毒性:ADI 5mg/kg(CE)。 GRAS(FEMA;FDA,§172.515,2000)。
  • 使用限量:FEMA(mg/kg):饮料2.4;冰淇淋8.0;糖果12.0;焙烤食品8.6;胶姆糖3.2。 FDA,§172.515(2000):用量适度为限。
  • 用途一:GB 2760--1996规定为允许使用的食用香料。 主要用于杏、香蕉、樱桃、桃、李、梅、梨、菠萝、巧克力等型香精。
  • 含量分析:按GT-10-4中用非极性柱进行气液色谱法分析。

系列性分类


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