Benzyl Butyrate 丁酸苄酯

CAS 103-37-7 MFCD00027133

化学结构图

103-37-7
SMILES: CCCC(=O)OCc1ccccc1

化学属性

Mol. FormulaC11H14O2
Mol. Weight178.23
Density1.009
Refractive index1.4910 to 1.4930
Flash Point114°C(lit.)
TSCAYes
Boiling Point240 °C at 760 mmHg
Appearance 无色液体。沸点240℃,130-132℃(2.0kPa),121℃(1.33kPa),相对密度1.0111(20/4℃),折光率1.4920。易溶于醇及醚,不溶于水。有浓的的果香。遇光和空气时不很安定。

别名和识别编码

Chemical NameBenzyl Butyrate
MDL NumberMFCD00027133
CAS Number103-37-7
Synonym benzyl butyrate {LY} benzyl butyrate {} {LY} benzyl butyrate {} {} {LY} benzyl butyrate {} {} {} {LY} benzyl butyrate {} {} {} {} {LY} benzyl butyrate {} {} {} {} {} {LY} benzyl butyrate {} {} {} {} {} {} {LY} benzyl butyrate {} {} {} {} {} {} {} {LY} benzyl butyrate {} {} {} {} {} {} {} {} {LY} benzyl butyrate {} {} {} {} {} {} {} {} {} {LY} benzyl butyrate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} benzyl butyrate {} {} {} {} {} {} {} {} {} {} {} {LY} benzyl butyrate {} {} {} {} {} {} {} {} {} {} {} {} {LY} benzyl butyrate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} benzyl butyrate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} benzyl butyrate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} benzyl butyrate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} benzyl butyrate {} {} {} {} {} {} {} {} {} {} {} {}
EC Number203-105-1
Beilstein Registry Number2047625
PubChem Substance ID87563755
Chemical Name Translation丁酸苄酯
Reaxys-RN2047625
Wiswesser Line Notation3VO1R
LabNetwork Molecule IDLN00194417
InChIInChI=1S/C11H14O2/c1-2-6-11(12)13-9-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9H2,1H3
Canonical SMILESCCCC(=O)OCC1=CC=CC=C1
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分类

  • {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} A - D, A-B, A-D, Alphabetical Listings, Certified Natural P

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

RTECSES7350000
WGK Germany2
Personal Protective Equipment Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) Eyeshields, Gloves, half-mask respirator (EU), half-mask respirator (US), multi-purpose combination respirator cartridge (US)
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
Signal word Warning
GHS Symbol
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
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2330 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - tremor
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 2,327,1964

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >5 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: 12,827,1974

Storage condition

其他信息

  • 方法一:由丁酸和氯化苄经加热、加压而成。或由丁酸与苄醇在硫酸催化下酯化后精制而成。
  • 毒性分级:中毒
  • 方法二:丁酸钠与氯化苄在水中加热回流反应,反应结束后,冷却分层、减压蒸馏得丁酸苄酯。 C3H7COONa+C6H5CH2C1→C3H7COOCH2C6H5+NaCl 由苯甲醇与丁酸在硫酸催化下加热酯化而得成品。 C3H7COOH+C6H5CH2OH[H2SO4]
  • 方法三:由丁酸和苄醇在硫酸催化下制备:或将丁酸、丁酸钠和氯化
  • 用途三:可用于茉莉、风信子、玫瑰、香叶、刺槐、铃兰、素心兰及香薇等配方中。在香皂中表现尚好,亦可用于食用香精,如杏仁、樱桃、椰子、杏子、桃子、风梨、香蕉、悬钩子、草莓、龙眼、坚果、奶油等香型中。
  • {Chemi
  • TCI Shanghai:丁酸苄酯 Benzyl Butyrate,>;97.0%(GC)(103-37-7)
  • 毒性:ADI 5mg/kg(CE)。 LD 50 2330mg/kg(大鼠,经口)。
  • 灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
  • Acros Organics:丁酸苄酯 Benzyl butyrate, 98%(103-37-7)
  • 所属类别二:食品添加剂: 食用香料(增香剂): 天然等同香料和人造香料
  • 用途四:该品有弱素馨和甘桃风味,香气优雅,主要用于素馨系调合香料中作润香剂,应用于肥皂香料,也用于食品香料,如用于桃子、杏子和洋梨等食品香精的调制。丁酸苄酯也用
  • 类别:易燃液体
  • 上游原料:苄基氯 --> 苄醇 --> 丁酸钠
  • 使用限量:FEMA(mg/kg):软饮料4.5;冷饮6.9;糖果7.7;焙烤食品9.9;布丁类3.0;胶姆糖310。 适度为限(FDA§172.515,2000)。
  • 含量分析:方法一按酯测定法(OT-18)中方法~测定。所取试样量为1g。计算中的当量因子(e)取89.10。 方法二按气相色谱法(GT-10)中“非极性柱”方法测定。
  • 丁酸苯甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0756 丁酸苄酯 Benzyl Butyrate 25G 137元 2014/06/02 B0756 丁酸苄酯 Benzyl Butyrate 500G 837元 2010/06/21 136270010 丁酸苯甲酯 Benzyl butyrate 98% 1 LT 1956元
  • 用途二:丁酸苄酯是我国规定允许使用的食用香料,常用于调制奶酪、奶油、杏、李、椰子、桃、香蕉、菠萝、草莓等香型食用香精和玫瑰、葡萄酒香精,用量按正常生产需要,一般在口香糖中310mg/kg;焙烤食品中9.9mg/kg;糖果中7.7mg/kg;冷饮中6.9mg/kg。
  • 图谱信息:丁酸苯甲酯(103-37-7)Raman
  • 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) 丁酸苄酯 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
  • FEMA:2140
  • 参考质量标准一:QB/T 3759—99(取代GB 10350--89) 含量 ≥98.0% 折射率(n D 20 ) 1.4920~1.4960 相对密度(d 25 25 ) 1.006~1.009 酸值(OT-4) ≤1.0 色状(GT-11-2) 无色透明液体,色泽不超过4号标准色 香气 果香,略带茉莉香气 溶解度(25℃)(0T-43)lm 1试样全溶于2mL80%(V V)乙醇中 砷(以As计;GT-3) ≤0.0003% 重金属(GT-16) ≤0.001%
  • 可燃性危险特性:较易燃液体; 受热分解刺激烟雾
  • 储运特性:通风低温干燥
  • MSDS 信息:Benzyl butanoate(103-37-7).msds

系列性分类


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