Isoamyl Benzoate 苯甲酸异戊酯

CAS 94-46-2 MFCD00026515

化学结构图

94-46-2
SMILES: CC(C)CCOC(=O)c1ccccc1

化学属性

Mol. FormulaC12H16O2
Mol. Weight192.25
Refractive index1.4920 to 1.4950
Boiling Point260°C at 760 mmHg
Density0.99 g/mL at 25 °C(lit.)
Flash Point129°C(lit.)
Appearance 无色至淡黄色液体。有水果似刺激臭味。沸点261℃(99.46kPa)。

别名和识别编码

Chemical NameIsoamyl Benzoate
MDL NumberMFCD00026515
CAS Number94-46-2
Synonym Isoamyl Benzoate {LY} Isoamyl Benzoate {} {LY} Isoamyl Benzoate {} {} {LY} Isoamyl Benzoate {} {} {} {LY} Isoamyl Benzoate {} {} {} {} {LY} Isoamyl Benzoate {} {} {} {} {} {LY} Isoamyl Benzoate {} {} {} {} {} {} {LY} Isoamyl Benzoate {} {} {} {} {} {} {} {LY} Isoamyl Benzoate {} {} {} {} {} {} {} {} {LY} Isoamyl Benzoate {} {} {} {} {} {} {} {} {} {LY} Isoamyl Benzoate {} {} {} {} {} {} {} {} {} {} {LY} Isoamyl Benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isoamyl Benzoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isoamyl Benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isoamyl Benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isoamyl Benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isoamyl Benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isoamyl Benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID7193
EC Number202-334-4
Reaxys-RN1946447
Merck Number5113
Chemical Name Translation苯甲酸异戊酯
Wiswesser Line Notation1Y1&2OVR
Beilstein Registry Number1946447
LabNetwork Molecule IDLN00239680
InChIInChI=1S/C12H16O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
Canonical SMILESCC(C)CCOC(=O)C1=CC=CC=C1
信息真实价格透明    资金保障    专业采购外包团队在线服务   
信息真实价格透明    资金保障    专业采购外包团队在线服务   
品牌质保精细包装    现货库存    一流品牌服务   

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} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, H-J, I-L, I-N, Kosher Certified Products
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, H-J,

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: 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: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains th

安全信息

WGK Germany2
Personal Protective Equipment Eyeshields, Gloves
RTECSDH3078000
Signal word
Hazard statements
  • H316 Causes mild skin irritation 会轻微的刺激皮肤
Precautionary statements
  • P332+P313
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 6330 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: 11,495,1973

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: 11,495,1973

Storage condition

其他信息

  • Sigma Aldrich:94-46-2(sigmaaldrich)
  • MOL 文件:94-46-2.mol
  • 苯甲酸异戊酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0071 苯甲酸异戊酯 Isoamyl Benzoate 500G 545元 2014/06/02 B0071 苯甲酸异戊酯 Isoamyl Benzoate 25G 194元
  • 图谱信息:苯甲酸异戊酯(94-46-2)红外图谱(IR1) 苯甲酸异戊酯(94-46-2)Raman光谱 苯甲酸异戊酯(94-46-2)红外图谱(IR2) 苯甲酸异戊酯(94-46-2)核磁图( 13 CNMR) 苯甲酸异戊酯(94-46-2)质谱(MS) 苯甲酸异戊酯(94-46-2)核磁图( 1 HNMR)
  • 使用限量:FEMA(mg/kg):饮料3.0;冰淇淋2.5;糖果3.5;焙烤制品7.4;明胶和布丁4.6;胶姆糖200。 以适度为限(FDA,§172.515,2000)。
  • 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) 苯甲酸异戊酯 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
  • 上游原料:异戊醇 --> 苯甲酸
  • 方法一:由苯甲酸和异戊醇在硫酸存在下直接酯化而成。
  • 用途一:GB 2760 1996允许使用的食用香料。
  • FEMA:2058
  • 毒性:LD 50 6330mg/kg(大鼠,经口)。 GRAS(FEMA)。
  • TCI Shanghai:苯甲酸异戊酯 Isoamyl Benzoate,>;98.0%(GC)(94-46-2)
  • 含量分析:按气相色谱法(GT-10-4)用极性柱进行测定。
  • 参考质量标准:FCC-1997 含量(2-甲基丁酯、3-甲基丁酯和正戊酯之和) ≥98.0% 酸值(OT-4) ≤1.0 折射率 1.492~1.496 相对密度 0.986~0.992

系列性分类


相关产品推荐