Isoamyl o-Hydroxybenzoate 水杨酸异戊酯

CAS 87-20-7 MFCD00020037

化学结构图

87-20-7
SMILES: CC(C)CCOC(=O)c1ccccc1O

化学属性

Mol. FormulaC12H16O3
Mol. Weight208.25
Refractive index1.5050 to 1.5080
Boiling Point276°C at 760 mmHg
Density1.05
Flash Point146°C(lit.)
Solubility不溶于水,不溶于甘油,溶于乙醇、乙醚。

别名和识别编码

Chemical NameIsoamyl o-Hydroxybenzoate
Synonym Isopentyl 2-hydroxybenzoate {LY} Isopentyl 2-hydroxybenzoate {} {LY} Isopentyl 2-hydroxybenzoate {} {} {LY} Isopentyl 2-hydroxybenzoate {} {} {} {LY} Isopentyl 2-hydroxybenzoate {} {} {} {} {LY} Isopentyl 2-hydroxybenzoate {} {} {} {} {} {LY} Isopentyl 2-hydroxybenzoate {} {} {} {} {} {} {LY} Isopentyl 2-hydroxybenzoate {} {} {} {} {} {} {} {LY} Isopentyl 2-hydroxybenzoate {} {} {} {} {} {} {} {} {LY} Isopentyl 2-hydroxybenzoate {} {} {} {} {} {} {} {} {} {LY} Isopentyl 2-hydroxybenzoate {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} Isopentyl 2-hydroxybenzoate {} {} {} {} {} {} {} {} {} {} {} {LY} Isopentyl 2-hydroxybenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isopentyl 2-hydroxybenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isopentyl 2-hydroxybenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isopentyl 2-hyd
MDL NumberMFCD00020037
CAS Number87-20-7
PubChem Substance ID6874
EC Number201-730-4
Chemical Name Translation水杨酸异戊酯
Reaxys-RN2580465
Merck Number5125
Beilstein Registry Number2580465
Wiswesser Line NotationQR BVO2Y1&1
LabNetwork Molecule IDLN00197345
InChIInChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3
Canonical SMILESCC(C)CCOC(=O)C1=CC=CC=C1O
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分类

  • {SA} Alphabetical Listings, Certified Natural Products, Flavors and Fragrances, I-L, I-N, Kosher Certified Products
  • {SNA} Alphabetical Listings, Flavors and Fragrances, I-L
  • {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/16 Title: Surface tension of pure liquids and binary mixtures Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: IV/16 Year: 1997 Keyword: organic compounds; surface tension; liquids; mixtures ISBN: 3-540-63276-X ISBN: 978-3-540-63276-4 Internet Resource: DOI:10.1007/b60566 RefComment: VII, 439 pages.
  • Short: IV/20B Title: Vapor Pressure and Antoine Coefficients for Oxygen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20B Year: 2000 Keyword: organic compounds; vapor pressure ISBN: 3-540-64968-9 ISBN: 978-3-540-64968-7 Internet Resource: DOI:10.1007/b71424 RefComment: VII, 320 pages.
  • Short: IV/6 Title: Static Dielectric Constants of Pure Liquids and Binary Liquid Mixtures Author: Wohlfarth, Ch. Editor: Madelung, O. Source: Landolt-Börnstein, New Series Volume: IV/6 Year: 1991 Keyword: organic compounds; dielectric constant; liquids; mixtures ISBN: 3-540-54417-8 ISBN: 978-3-540-54417-3 Internet Resource: DOI:10.1007/b44266 RefComment: VIII, 521 pages.
  • Short: EINECS Title: EI

安全信息

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)
RTECSVO4375000
Safety Statements
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中,参考特别指示/安全收据说明书;
Hazard Codes 9
Risk Statements
  • R51/53
Hazard Class9
GHS Symbol
UN Number 3082
Signal word Warning
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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。
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338+P337+P313
  • 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。
  • 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
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
Packing GroupIII
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3300 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
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 - guinea pig
DOSE/DURATION           : 2480 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
REFERENCE :
   TOVEFN Toksikologicheskii Vestnik.  (18-20 Vadkovskii per.  Moscow, 101479,
   Russia) History Unknown  Volume(issue)/page/year: (2),25,1994

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 12600 mg/kg
SEX/DURATION            : male 42 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - testes, epididymis, sperm duct
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 13,185,1975

Storage condition

其他信息

  • 方法一:由异戊醇和水杨酸酯化后分馏而得。
  • 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
  • 用途四:有定香作用,用于配制许多类型的香精。由于对碱稳定,故极适用于皂用香精。也用于医药上。可用于食品。
  • MOL 文件:87-20-7.mol
  • FEMA:2084
  • 图谱信息:柳酸异戊酯(87-20-7)Raman光谱 柳酸异戊酯(87-20-7)质谱(MS) 柳酸异戊酯(87-20-7)红外图谱(IR1) 柳酸异戊酯(87-20-7)核磁图( 13 CNMR) 柳酸异戊酯(87-20-7)红外图谱(IR2)
  • Sigma Aldrich:87-20-7(sigmaaldrich)
  • 用途一:用于配制皂用及食用香精
  • 用途三:GB 2760一96规定为允许使用的食用香料。主要用以配制啤酒和各种类型的香精(用量极微)。
  • 柳酸异戊酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 S0012 水杨酸异戊酯(含水杨酸2-甲基丁酯) Isoamyl Salicylate (contains 2-Methylbutyl Salicylate) 500ML 526元 2014/06/02 S0012 水杨酸异戊酯(含水杨酸2-甲基丁酯) Isoamyl Salicylate (contains 2-Methylbutyl Salicylate) 25ML 117元
  • 上游原料:水杨酸
  • TCI Shanghai:水杨酸异戊酯(含2-甲丁基水杨酸酯) Isoamyl Salicylate (contains 2-Methylbutyl Salicylate),>;98.0%(GC)(87-20-7)
  • MSDS 信息:水杨酸异戊酯(87-20-7).msds
  • 下游产品:水杨酸戊酯
  • 外观性质:无色液体, 有浓郁的花香气味。
  • 用途二:是常用而且较重要的水杨酸酯类之一。适用于草兰型香精及苔香、香薇、素心兰、新刈草等香型中。花香型如香石竹、紫罗兰、桂花、金雀花、风信子、含羞花等及重香型的木香与东方香型与麝香型配方中也用之。也能与广藿香油、岩兰草油、檀香油或柏木油和合共同用于皂用香薇型中。

系列性分类


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