Neryl Acetate 橙花醇乙酸酯

CAS 141-12-8 MFCD00063205

化学结构图

141-12-8
SMILES: CC(=O)OC/C=C(/C)CCC=C(C)C

化学属性

Mol. FormulaC12H20O2
Mol. Weight196.29 g/mol
Refractive index1.4590 to 1.4620
Boiling Point247.506 °C at 760 mmHg
Density0.91
Flash Point107°C(lit.)
TSCAYes
Appearance 无色至微黄色油状液体，呈橙花和玫瑰香气及蜂蜜和覆盆子甜香味。沸点231℃或134℃(3333Pa)，天然品的旋光度为+11°～+14°，合成品为±0°。溶于乙醇、各种精油和大多数普通有机溶剂。 天然品存在于柠檬、橙花、苦橙叶等精油中。

别名和识别编码

Chemical NameNeryl Acetate
Synonym (2Z)-3,7-Dimethyl-2,6-octadienyl acetate (2Z)-3,7-dimethyl-2,6-octadien-1-yl acetate (Z)-1-acetoxy-3,7-dimethyl-octa-2,6-diene (Z)-3,7-Dimethyl-2,6-octadienyl ethanoate (Z)-3,7-Dimethyl-2,6-octadienylethanoate (Z)-3,7-二甲基-2,6-辛二烯-1-醇乙酸酯 2,6-OCTADIEN-1-OL, 3,7-DIMETHYL:ACETATE 2,6-Octadien-1-ol, 3,7-dimethyl-, acetat 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2Z)- 2-顺-3 2-顺-3,7-二甲基-2,6-辛二烯-1-醇乙酸酯 3,7-Dimethyl-2(cis),6-octadienylacetat 3,7-Dimethyl-cis-2,6-octadien-1-ol, acetate 3,7-dimethyl-,acetate,(z)-6-octadien-1-ol 6-Octadien-1-ol,3,7-dimethyl-,acetate,(Z)-2 7-二甲基-2 cis-1-acetoxy-3,7-dimethyl-octa-2,6-diene cis-Geranyl acetate CIS-3, CIS-3,7-DIMETHYL-2,6-OCTADIEN-1-OL ACETATE
MDL NumberMFCD00063205
CAS Number141-12-8
PubChem Substance ID87573798
EC Number205-459-2
Beilstein Registry Number1722814
Chemical Name Translation橙花醇乙酸酯
Reaxys-RN1722814
LabNetwork Molecule IDLN00242961
InChIInChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8-
Canonical SMILESC/C(C)=C\CC/C(C)=C\COC(C)=O
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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} Additional Standards, Alphabetical, Analytical Standards, Chemical Class, Chromatography, Citrus, Ester, Esters, Food & Beverage Standard
  • {SNA} All Alphabetically Sorted, Alphabetical, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Chemical Class, Chromatography, Citrus, Ester, Esters, Flavors and Fragrances, Food & Beverage Standards, Life Sciences Standards, M-R, N, N - R,
  • {SNA} Alphabetical

相关文献及参考

  • Beilstein: 2,II,153
  • Short: EINECS
  • Short: III/38B
  • Short: IV/8H

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) Eyeshields, Gloves
RTECSRG5921000
Hazard Codes Xi
Safety Statements
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
GHS Symbol
Precautionary statements
Storage condition 2-8°C 
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: 14,625,1976

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: 14,625,1976

其他信息

  • Alfa Aesar:橙花乙酸酯,98% Neryl acetate, 98%(141-12-8)
  • 参考质量标准:FCC，1996；FAO/WHO．1997 含量 ≥96.0% 折射率(n D 20 ) 1.458～1.4640 相对密度(d 25 25 ) 0.90
  • 使用限量:FEMA(mg/kg)：软饮料1.3；冷饮1.6；糖果5.1；焙烤食品15。 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） 乙酸橙花酯 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
  • 含量分析:按OT-18中酯测定法测定。试样量取1g，计算中的当量因子(e)取98.15。其中占主要的顺式异构体含量，按GT-10-4中气相色谱法中极性柱方法测定。
  • F:9-23
  • 有橙花和玫瑰样香气。有蜂蜜和覆盆子样风味。不溶于水，溶于乙醇、乙醚和常用有机溶剂以及精油。
  • 用途一:GB 2760--1996规定为允许使用的食用香料。主要用以配制生梨、苹果、柠檬、桃子、树莓、柑橘类等水果型香精。
  • 图谱信息:(Z)-3,7-二甲基-2,6-辛二烯-1-醇乙酸酯 (141-12-8)核磁图( 13 CNMR) (Z)-3,7-二甲基-2,6-辛二烯-1-醇乙酸酯 (141-12-8)Raman光谱 (Z)-3,7-二甲基-2,6-辛二烯-1-醇乙酸酯 (141-12-8)红外图谱(IR1) (Z)-3,7-二甲基-2,6-辛二烯-1-醇乙酸酯 (141-12-8)核磁图( 1 HNMR) (Z)-3,7-二甲基-2,6-辛二烯-1-醇乙酸酯 (141-12-8)质谱(MS)
  • Sigma Aldrich:14
  • TCI Shanghai:(Z)-3,7-二甲基-2,6-辛二烯-1-醇乙酸酯 Neryl Acetate,>;95.0%(GC)(141-12-8)
  • FEMA:2773
  • Acros Organics:乙酸橙花酯 Neryl acetate, mixture of ca 55-65% neryl and 35-45% geranyl acetate, 97%(141-12-8)

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. M-N - Alphabetical Listings
  1. Life Science 生命科学
  2. Nutrition Research 营养研究
  3. Phytochemicals by Plant (Food/Spice/Herb) - Nutrition Research
  4. Artemisia vulgaris - Phytochemicals by Plant (Food/Spice/Herb)
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  6. C12 to C63 - Esters
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Natural Compounds - Chemical Class
  5. Natural Terpene Standards - Natural Compounds
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. N - Alphabetic
  5. NA - NI - N
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Life Sciences Standards - Chromatography
  5. Natural Compounds - Life Sciences Standards
  1. Life Science 生命科学
  2. Biochemistry / Glyco-Chemistry
  3. Terpenes

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