Isobutyl salicylate 水杨酸异丁酯

CAS 87-19-4 MFCD00020035

化学结构图

87-19-4
SMILES: CC(C)COC(=O)c1ccccc1O

化学属性

Mol. FormulaC11H14O3
Mol. Weight194.22706
Refractive index1.5070 to 1.5100
Boiling Point267 °C at 760 mmHg
Density1.064 g/mL at 25 °C(lit.)
Flash Point121°C(lit.)
Appearance 无色至淡黄色液体。呈细腻的丁香和兰花香气,有甜味。沸点260℃。熔点-5.9℃,闪点121℃。溶于乙醇、大多数非挥发性油和矿物油,几不溶于丙二醇,不溶于甘油和水。
Melting Point5.9 °C

别名和识别编码

Chemical NameIsobutyl salicylate
Synonym Isobutyl salicylate {LY} Isobutyl salicylate {} {LY} Isobutyl salicylate {} {} {LY} Isobutyl salicylate {} {} {} {LY} Isobutyl salicylate {} {} {} {} {LY} Isobutyl salicylate {} {} {} {} {} {LY} Isobutyl salicylate {} {} {} {} {} {} {LY} Isobutyl salicylate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isobutyl salicylate {} {} {} {} {} {} {} {} {LY} Isobutyl salicylate {} {} {} {} {} {} {} {} {} {LY} Isobutyl salicylate {} {} {} {} {} {} {} {} {} {} {LY} Isobutyl salicylate {} {} {} {} {} {} {} {} {} {} {} {LY} Isobutyl salicylate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isobutyl salicylate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isobutyl salicylate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isobutyl salicylate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isobutyl salicylate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
MDL NumberMFCD00020035
CAS Number87-19-4
PubChem Substance ID87575644
EC Number201-729-9
Chemical Name Translation水杨酸异丁酯
Reaxys-RN2615955
Beilstein Registry Number10(3)121
Wiswesser Line NotationQR BVO1Y1&1
LabNetwork Molecule IDLN00237791
InChIInChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8,12H,7H2,1-2H3
Canonical SMILESO=C(OCC(C)C)C1=CC=CC=C1O
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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} Alphabetical Listings, Flavors and Fragrances, Halal Certified Products, I - N, I-L, I-N, Kosher Certified Products
  • {SNA} Alphabetical Listings, Flavors and Fragrances, Halal Certified Products, I-L, I-N, Kosher Certified Products
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; alcohol; 1fragment

相关文献及参考

  • 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 the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.
  • Short: IV/17 Title: Static Dielectric Constants of Pure Liquids and Binary Liquid Mixtures Author: Wohlfarth, Ch. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: IV/17 Year: 2008 Keyword: binary liquid mixtures; inorganic liquid; organic liquid; organoboron liquid; organometallic liquid; organophosphorus liquid; organosilicon liquid; pure liquids; static dielectric constant ISBN: 978-3-540-75505-0 (Print) ISBN: 978-3-540-75506-7 (Online) Internet Resource: DOI:10.1007/978-3-540-75506-7 RefComment: VII, 203 p., Hardcover RefComment: Written for scientists and engineers in the fields of physics, chemistry and physical chemistry Abstract: This Landolt-Börnstein volume IV/17 is a supplement to the volume IV/6 "Static Dielectric Constants of Pure Liquids and Binary Liquid Mixtures" and provides dielectric constant data published in the years 1991-2006. Included in this volume are static dielectric constants of pure liquids and binary liquid mixtures at different temperatures and saturation vapor pressures including liquid elements, inorganic liquids, organic liquids and their mixtures. Not all published data could be included in the printed version, but the electronic versio

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSVO4320000
Signal word Warning
Hazard Codes Xn
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
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+P312+P330
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338+P337+P313
  • P332+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >5 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: 13,813,1975

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 5100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TOVEFN Toksikologicheskii Vestnik.  (18-20 Vadkovskii per.  Moscow, 101479,
   Russia) History Unknown  Volume(issue)/page/year: (2),25,1994

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1560 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: 13,813,1975

Storage condition

其他信息

  • 用途一:用于日化香精、食品香精
  • MOL 文件:87-19-4.mol
  • 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) 水杨酸异丁酯 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
  • 图谱信息:水杨酸异丁酯(87-19-4)红外图谱(IR1) 水杨酸异丁酯(87-19-4)Raman光谱 水杨酸异丁酯(87-19-4)核磁图( 1 HNMR) 水杨酸异丁酯(87-19-4)红外图谱(IR2) 水杨酸异丁酯(87-19-4)质谱(MS) 水杨酸异丁酯(87-19-4)核磁图( 13 CNMR)
  • 使用限量:FEMA(mg/kg):软饮料0.5;冷饮1.8;糖果2.6;焙烤食品5.0。 适度为限(FDA§172.515,2000)。
  • 用途二:GB 2760 96规定为允许使用的食用香料。主要用于啤酒和各种果型香精(用量极微)。
  • FEMA:2213
  • TCI Shanghai:水杨酸异丁酯 Isobutyl Salicylate,>;99.0%(GC)(87-19-4)
  • MSDS 信息:2-Methylpropyl o-hydroxybenzoate(87-19-4).msds
  • 毒性:GRAS(FEMA)。 LD 50 1560 mg/kg(大鼠,经口)。
  • 水杨酸异丁酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 S0013 水杨酸异丁酯 Isobutyl Salicylate 500G 649元 2014/06/02 S0013 水杨酸异丁酯 Isobutyl Salicylate 25G 130元
  • Sigma Aldrich:87-19-4(sigmaaldrich)
  • 方法一:由异丁醇与水杨酸酯化而成。
  • 参考质量标准:FCC,1996 含量 ≥98.0% 折射率(n D 25 ) 1.507~1.510 相对密度(d 25 25 ) 1.062~1.066 酸值 ≤1.0 醇中溶解度 1 ml溶于9 Ml80%乙醇,稀释至10ml不变
  • 含量分析:按酯测定法(OT-18)中方法一测定。所取试样量为1.3g。回流2h。滴定时改用酚红试液(TS-166)作为指示剂。计算中的当量因子(e)取97.12。 或按气相色谱(GT-10-4)中非极性柱方法测定。
  • 上游原料:异丁醇 --> 水杨酸

系列性分类


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