Citronellyl Acetate 乙酸香茅酯

CAS 150-84-5 MFCD00015039

化学结构图

150-84-5
SMILES: CC(=O)OCCC(C)CCC=C(C)C

化学属性

Mol. FormulaC12H22O2
Mol. Weight198.31 g/mol
Refractive indexn20/D 1.445(lit.)
Boiling Point240
Density0.890
Flash Point112°C(lit.)
TSCAYes
Solubility难溶
Appearance 无色液体。沸点119-121℃（2.0kPa），相对密度0.895-0.901（15/15℃），折光率1.4456（17℃）。易溶于甲醇、乙醇、氯仿等，几乎不溶于水。有梨莓油和香甘油的混合气味，有蔷薇、熏衣草香气。

别名和识别编码

Chemical NameCitronellyl Acetate
Synonym 2-Octen-8-ol, 2,6-dimethyl-, acetate 3,7-DIMETHYL-6-OCTEN-1-OL ACETATE 3,7-Dimethyl-6-octen-1-ol Acetate 3,7-Dimethyl-6-octenyl acetate 3,7-Dimethyloct-6-enylacetat 3,7-二甲基-6-辛烯乙酸酯 Acetic acid, citronellyl ester Citronellol acetate Citronellyl Acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
MDL NumberMFCD00015039
CAS Number150-84-5
PubChem Substance ID9017
EC Number205-775-0
Reaxys-RN1723886
Beilstein Registry Number1723886
Chemical Name Translation乙酸香茅酯
Wiswesser Line Notation1Y1&U3Y1&WOV1
LabNetwork Molecule IDLN00223007
InChIInChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3
Canonical SMILESC/C(C)=C\CCC(C)CCOC(C)=O
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分类

  • {SNA} A-D, Alphabetical Listings, C-D, Certified Food Grade Products, Certified Natural Products, Flavors and Fragrances, Kosher Certified Products
  • {Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香料
  • {SNA} A-D, Alphabetical Listings, C-D, Flavors and Fragrances, Kosher Certified Products
  • {SNA} A - D,

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/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: EINECS Title: EINECS (European Inventor

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)
RTECSRH3422500
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
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S37 Wear suitable gloves 戴适当手套；
Signal word Danger
GHS Symbol
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 6800 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: 11,1069,1973

其他信息

  • 上游原料:无水醋酸钠 --> 香茅醇 --> 玫瑰油 --> 香叶油 --> 香茅油
  • TCI Shanghai:乙酸香茅酯 Citronellyl Acetate,>;95.0%(GC)(150-84-5)
  • 使用限量:FEMA(mg/kg)：软饮料3.4；冷饮4.2；糖果7.5；焙烤食品9.7；布丁类0.71～3.7；胶姆糖6.9～600。 适度为限(FDA§172．515，2000)。
  • 毒性分级:低毒
  • 用途三:是玫瑰型、香石竹型中的清甜协调香气。可少量用来增甜桂花、薰衣草、紫丁香、铃兰、莲花及牡丹花型香精。在香叶、防风根、素心兰、香柠檬、柑橘、占龙等非花型及醛香型香精中，亦可赋予新鲜、甜香、果香香韵。可微量用于食用香精中，如苹果、杏子、香蕉、柚子、柠檬等。
  • FEMA:2311
  • 参考质量标准:FCC，1996 总酯(以乙酸香茅酯计) ≥92.0% 折射率n{D 20 1.440～1.450 相对密度d 25 25 0.883~0.893 酸值(OT-4) ≤1.0
  • 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） 乙酸香茅酯 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
  • 类别:有毒物品
  • 含量分析:(总酯量) 按酯测定法(OT-18)中方法一测定。所取试样量为1.4g。计算中的当量因子(e)取99.15。
  • 灭火剂:干粉、泡沫、砂土和水
  • 用途四:常用于各种人造花精油中，能增加甜味。其它如玫瑰、康乃馨、薰衣草等香精调合进也用使用。质量相当稳定，不会变色。
  • 用途一:用于配制玫瑰、薰衣草等日化香精
  • 储运特性:库房通风低温干燥
  • MSDS 信息:Citronellyl acetate(150-84-5).msds
  • 急性毒性:口服-大鼠LD50:6800毫克/公斤
  • 乙酸香茅酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0915 乙酸香茅酯 Citronellyl Acetate 25ML 260元 2010/05/25 A19872 香芳醇乙酸酯, 97% Citronellyl acetate, 96% 25g 287元 2010/05/25 A19872 香芳醇乙酸酯, 97% Citronellyl acetate, 96% 100g 931元
  • 用途二:GB 2760--1996规定为允许使用的食用香料。主要用于调制玫瑰、薰衣草、苹果、香蕉、杏和柑橘等型香精。也用于蛋黄酱、沙拉调料和沙司等中。
  • Alfa Aesar:香芳醇乙酸酯,97% Citronellyl acetate, 96%(150-84-5)
  • 可燃性危险特性:易燃;加热分解释放刺激烟雾
  • 刺激数据:皮肤-兔子500 毫克/24小时 轻度
  • MOL 文件:150-84-5.mol
  • 方法二:天然存在于玫瑰油、香叶油、锡兰产的香茅油中。合成法制备可由香茅醇、乙酐、无水醋酸钠依常法酯化，产率为香茅醇85%左右。
  • Sigma Aldrich:150-84-5(sigmaaldrich)
  • 毒性:Adl 0.5mg/kg(FAO/WHO，1994)； LD 50 6.8g/kg(大鼠，经口)。
  • 方法一:由香茅油或香叶油用真空分馏法单离而得。 由香茅醇与醋酐直接乙酰化而得。
  • 图谱信息:乙酸香茅酯(150-84-5)质谱(MS) 乙酸香茅酯(150-84-5)Raman光谱 乙酸香茅酯(150-84-5)红外图谱(IR1) 乙酸香茅酯(150-84-5)核磁图( 1 HNMR) 乙酸香茅酯(150-84-5)核磁图( 13 CNMR)

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Kosher Certified Products - Flavors and Fragrances
  4. A-D - Kosher Certified Products
  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. C-D - Alphabetical Listings
  1. Life Science 生命科学
  2. Biochemistry / Glyco-Chemistry
  3. Terpenes

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