Geranyl Isovalerate 异戊酸香叶酯

CAS 109-20-6 MFCD00036514

化学结构图

109-20-6
SMILES: CC(C)=CCC/C(C)=C/COC(=O)CC(C)C

化学属性

Mol. Formula(CH3)2CHCH2CO2CH2CH=C(CH3)CH2CH2CH=C(CH3)2
Mol. Weight238.37
Refractive indexn20/D 1.458(lit.)
Boiling Point279 °C(lit.)
Density0.89 g/mL at 25 °C(lit.)
Flash Point113 °C
Appearance 天然品存在于柠檬桉等中。 无色至微黄色液体,呈玫瑰香气,有苹果和菠萝似底香,有甜的苹果似甜味。不溶于水,溶于大多数非挥发性油和乙醇。

别名和识别编码

Chemical NameGeranyl Isovalerate
Synonym {uni_hamburg} GERANYL 3-METHYLBUTYRATE (E)-3,7-二甲基-2,6-辛二烯醇3-甲基丁酸酯 GERANYL ISOVALERATE 3-methyl-,3,7-dimethyl-2,6-octadienylester,(e)-butanoicaci 异戊酸香叶酯 3-methyl-,3,7-dimethyl-2,6-octadienylester,(E)-Butanoicacid geranyl3-methylbutanoate 3,7-dimethyl-,isovalerate,(e)-6-octadien-1-ol (2E)-3,7-Dimethyl-2,6-octadienyl 3-methylbutanoate Geranyl isopentanoate Butyric acid, 3-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)- Isovaleric acid geranyl ester 3,7-dimethyl-2,6-octadienylester,(e)-isovalericaci 3-methylbutanoic acid trans-3,7-dimethyl-oct-2,6-dien-1-yl ester geranyl isovalerate TRANS-3 7-DIMETHYL-2 6-OCTADIEN-1-OL METHYLBUTYRATE Geranyl isovalerate Geranyl 3-methylbutanoate
PubChem Substance ID5362830
EC Number203-655-2
MDL NumberMFCD00036514
CAS Number109-20-6
Chemical Name Translation异戊酸香叶酯
Wiswesser Line Notation1Y1&U3Y1&U2OV1Y1&1 -T
InChIInChI=1S/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3/b14-9+
LabNetwork Molecule IDLN04910242
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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
  • {uni_hamburg} no charge; ester; 1fragment
  • {SNA} Alphabetical Listings, Certified Food Grade Products, E-H, Flavors and Fragrances, G-H, Halal Certified Products, Kosher Certified Products
  • {SNA} Alphabetical Listings, Certified Food Grade Products, E - H, E-G, E-H,

相关文献及参考

  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15
  • 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/18B Title: Viscosity of Pure Organic Liquids and Binary Liquid Mixtures: Pure Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: IV/18B Year: 2001 Keyword: organic compounds; viscosity; liquids; mixtures Internet Resource: DOI:10.1007/b68240 RefComment: VII, 409 pages.

安全信息

WGK Germany2
Personal Protective Equipment Eyeshields, Gloves
RTECSRG5927700

其他信息

  • 参考质量标准:FAO/WHO,1997 含量 ≥95.0% 折射率(n D 20 ) 1.454~1.470 相对密度(d 25 25 ) 0.878~0.899
  • FEMA:2518
  • 毒性:可安全用于食品(FDA,§172.515,2000)。 MLD 500mg/24h(大鼠,皮下)。
  • 图谱信息:(E)-3,7-二甲基-2,6-辛二烯醇3-甲基丁酸酯 (109-20-6)Raman光谱 (E)-3,7-二甲基-2,6-辛二烯醇3-甲基丁酸酯 (109-20-6)红外图谱(IR1) (E)-3,7-二甲基-2,6-辛二烯醇3-甲基丁酸酯 (109-20-6)核磁图( 13 CNMR) (E)-3,7-二甲基-2,6-辛二烯醇3-甲基丁酸酯 (109-20-6)核磁图( 1 HNMR) (E)-3,7-二甲基-2,6-辛二烯醇3-甲基丁酸酯 (109-20-6)红外图谱(IR2)
  • 使用限量:FEMA(mg/kg):软饮料4.2;焙烤食品6.8;糖果10;冷饮11。
  • MOL 文件:109-20-6.mol
  • 用途一:GB 2760--1996规定为允许使用的食品用香料。
  • Sigma Aldrich:109-20-6(sigmaaldrich)
  • 方法一:由香叶醇和异戊酸共沸酯化而成。

系列性分类


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