gamma-Decalactone 天然Γ癸内酯

CAS 706-14-9 MFCD00005404

化学结构图

706-14-9
SMILES: CCCCCCC1CCC(=O)O1

化学属性

Mol. FormulaC10H18O2
Mol. Weight170.25
Density0.948
Refractive index1.4470 to 1.4500
Boiling Point266.685 °C at 760 mmHg
Flash Point146°C(lit.)
TSCAYes
Appearance 天然品存在于桃、杏和草莓等水果中。 无色至淡黄色液体，呈椰子和桃子香气。沸点281℃(153℃/2000Pa；或114～116℃/66.7Pa)。微溶于水。

别名和识别编码

Chemical Name4-Decanolide
CAS Number706-14-9
EC Number211-892-8
Beilstein Registry Number117547
MDL NumberMFCD00005404
Synonym Gamma-decalactone {LY} Gamma-decalactone decan-4-olide gamma-decalactone gamma-decanolactone gamma-lactone decanoic acid {} {LY} Gamma-decalactone {} {} {LY} Gamma-decalactone {} {} {} {LY} Gamma-decalactone {} {} {} {} {LY} Gamma-decalactone {} {} {} {} {} {LY} Gamma-decalactone {} {} {} {} {} {} {LY} Gamma-decalactone {} {} {} {} {} {} {} {LY} Gamma-decalactone {} {} {} {} {} {} {} {} {LY} Gamma-decalactone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Gamma-decalactone {} {} {} {} {} {} {} {} {} {} {LY} Gamma-decalactone {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Gamma-decalactone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Gamma-decalactone {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Gamma-decalactone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Gamma-decalactone {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID12813
Reaxys-RN117547
Chemical Name Translation天然Γ癸内酯
InChIKeyIFYYFLINQYPWGJ-UHFFFAOYSA-N
Wiswesser Line NotationT5OVTJ E6
LabNetwork Molecule IDLN00224581
Canonical SMILESO=C1OC(CCCCCC)CC1
InChIInChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3
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分类

  • {SNA} A - D,
  • {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} Bioactive Small Molecules, Building Blocks, Carbonyl Compounds, Cell Biology, Chemical Synthesis, D-DIF, Lactones, Organic Building Blocks
  • {
  • {SNA} A-F, Alcoholic & Nonalcoholic Beverages, Alphabetical Index of Analytical Standards, Analytical Standards, Animal Products, Apricot, Beer, Butter, Cheese, Chromatography, D, DA - DH, Dairy Products, Food & Beverage Standards, Fruits, Furan / Furanone, Nectarine,

相关文献及参考

  • Beilstein: 17,246

安全信息

Signal word Warning
GHS Symbol
WGK Germany1
Safety Statements
  • 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；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S37 Wear suitable gloves 戴适当手套；
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
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
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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • 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+P350
  • P302+P352
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • 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
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, Gloves Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSLU4600000
Hazard Codes Xi 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 56 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#02795

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • 含量分析:按GT-10-4中用极性柱进行气相色谱分析法测定。
  • FEMA:2360
  • 用途三:配制食品、制皂、日用化妆品用香精，亦可作人造奶油增香剂。
  • 方法二:由辛醛和丙二酸缩合可得α-癸烯酸，α-癸烯酸在冷却下与85%硫酸混合，然后加热到80℃，加水并内酯化，得到γ-癸内酯。工业品含量≥97%。
  • 参考质量标准:FCC，1997 含量 ≥95.0% 酸值(OT-4) ≤1.0 折射率n D 20 1.447～1.451 相对密度d 25 25 0.949～0.954 醇中溶解度 lml溶于lmL 95%乙醇
  • MOL 文件:706-14-9.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） δ-癸内酯 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 γ-癸内酯 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
  • MSDS 信息:5-Hexyldihydro-2(3H)-furanone(706-14-9).msds
  • Sigma Aldrich:706-14-9(sigmaaldrich)
  • TCI Shanghai:γ-癸酸内酯 gamma-Decanolactone,>;96.0%(GC)(706-14-9)
  • Alfa Aesar:γ-十烷酸内酯,98% gamma-Decanolactone, 98%(706-14-9)
  • 方法一:由9-癸烯酸(或ω-十一烯酸)和80%硫酸在90℃下长时间加热环化而成。 用Y-1γ-癸内酯酵母(由天津轻工业学院2000年筛选出)在下列营养基中进行发酵法生物制备：蛋白胨3.5g/L；酵母浸汁2.5g／L；KH2PO40.5g/L；Na2HPO4 1.2g/L；MgSO4?7H2O 2.4g/L；蓖麻油4%，消泡剂0.4%，起始Ph 7.0，最后发酵液中的γ-癸内酯可达400mg/L。
  • 用途一:用于配制果香型香精、饲料香味剂等
  • 有愉快的桃子香气。溶于水，易溶于醇类有机溶剂。
  • 图谱信息:丙位癸内酯(706-14-9)核磁图( 13 CNMR) 丙位癸内酯(706-14-9)Raman光谱 丙位癸内酯(706-14-9)质谱(MS) 丙位癸内酯(706-14-9)红外图谱(IR1)
  • 丙位癸内酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 H0233 γ-癸酸内酯 gamma-Decanolactone 25G 500元 2010/05/25 A19732 γ-十烷酸内酯, 98% gamma-Decanolactone, 98% 5g 167元 2010/05/25 A19732 γ-十烷酸内酯, 98% gamma-Decanolactone, 98% 25g 500元
  • 用途二:GB 2760—96规定为允许使用的食用香料。主要用于配制乳品、奶油、桃、柑橘和椰子等型香精。
  • Hazard Note:Irritant
  • 上游原料:丙二酸 --> 蓖麻油 --> 10-十一烯酸 --> 正辛醛 --> 5-(6)-癸烯酸混合物 --> 9-癸烯酸
  • 使用限量:FEMA(mg/kg)：软饮料2.0；冷饮4.5；糖果5.7；焙烤食品7.1；布丁类0.08～8.0。 适度为限(FDA§172．515，2000)。
  • 毒性:GRAS(FEMA)。

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Halal Certified Products - Flavors and Fragrances
  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Bioactive Small Molecules - Cell Biology
  4. D-DIF - Bioactive Small Molecules
  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. 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. Lactones - Carbonyl Compounds

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