Hydroxycitronellol 3,7-二甲基-1,7-二羟基辛烷

CAS 107-74-4 MFCD00046005

化学结构图

107-74-4
SMILES: CC(CCO)CCCC(C)(C)O

化学属性

Mol. FormulaC10H22O2
Mol. Weight174.28
Appearance 无色非常粘稠液体,具有淡的鲜花香味。沸点263℃或140℃(533Pa)。溶于乙醇和非挥发性油,微溶于水。
Melting Point47.36 °C
Boiling Point252.5 °C at 760 mmHg

别名和识别编码

Chemical NameHydroxycitronellol
Synonym 3,7-Dimethyloctane-1,7-diol {LY} 3,7-Dimethyloctane-1,7-diol {} {LY} 3,7-Dimethyloctane-1,7-diol {} {} {LY} 3,7-Dimethyloctane-1,7-diol {} {} {} {LY} 3,7-Dimethyloctane-1,7-diol {} {} {} {} {LY} 3,7-Dimethyloctane-1,7-diol {} {} {} {} {} {LY} 3,7-Dimethyloctane-1,7-diol {} {} {} {} {} {} {LY} 3,7-Dimethyloctane-1,7-diol {} {} {} {} {} {} {} {LY} 3,7-Dimethyloctane-1,7-diol {} {} {} {} {} {} {} {} {LY} 3,7-Dimethyloctane-1,7-diol {} {} {} {} {} {} {} {} {} {LY} 3,7-Dimethyloctane-1,7-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,7-Dimethyloctane-1,7-diol {} {} {} {} {} {} {} {} {} {} {} {LY} 3,7-Dimethyloctane-1,7-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,7-Dimethyloctane-1,7-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,7-Dimethyloctane-1,7-diol {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,7-Dimethyloct
MDL NumberMFCD00046005
Chemical Name Translation3,7-二甲基-1,7-二羟基辛烷
CAS Number107-74-4
EC Number203-517-1
Wiswesser Line NotationQX1&1&3Y2Q&1
PubChem Substance ID249494
InChIInChI=1S/C10H22O2/c1-9(6-8-11)5-4-7-10(2,3)12/h9,11-12H,4-8H2,1-3H3
Canonical SMILESCC(CCCC(C)(C)O)CCO
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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; alcohol; chiral; 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/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.
  • 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/8G Title: Densities of Alcohols Author: Frenkel, M.; Hong, X.; Wilhoit, R.C.; Hall, K.R. Editor: Hall, K.R.; Marsh, K.N. Source: Landolt-Börnstein, New Series Volume: IV/8G Year: 2000 Keyword: organic compounds; density; liquids ISBN: 3-540-66233-2 ISBN: 978-3-540-66233-4 Internet Resource: DOI:10.1007/b75928 RefComment: XI, 413 pages, with CD-ROM, Hardcover
  • Short: EINECS Title: EINECS (European Inven

安全信息

Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
RTECSRG9605000
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
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: 12,923,1974

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: 12,923,1974

Storage condition

其他信息

  • FEMA:2586
  • 使用限量:FEMA(mg/kg):软饮料2.0;冷饮1.6;糖果3.6;焙烤食品3.5;布丁类0.30;胶姆糖0.30。 适度为限(FDA§172.515,2000)。
  • 上游原料:正辛醛
  • 含量分析:方法一 精确称取试样约1.2g,按酯测定法(OT-18)中方法一进行。计算中的当量因子(e)取87.15。 方法二用气液色谱法进行测定。条件与“α-烯丙基紫罗兰酮(03411)”相同。
  • 用途一:GB 2760—1996规定为允许使用的食用香料。主要用于配制樱桃和柑橘类香精。
  • 方法一:由3,7-二甲基-7-羟基辛醛在镍催化下加压氢化而成。 亦可由1,2-环氧-3,7-二甲基-7一辛醇在镍催化下氢化而成。
  • MOL 文件:107-74-4.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) 羟基香茅醇 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
  • 参考质量标准:FAO/WHO,1999 折射率(n D 20 ) 1.455~1.460 相对密度(d 25 25 ) 0.922~0.930 醇中溶解度(OT-43) 1 ml溶于1 Ml60%乙醇 醛含量(以羟基香茅醛计) ≤10%
  • 毒性:GRAS(FEMA)。

系列性分类


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