Gamma-Octanoic Lactone Gamma-辛内酯

CAS 104-50-7 MFCD00005402

化学结构图

104-50-7
SMILES: CCCCC1CCC(=O)O1

化学属性

Mol. FormulaC8H14O2
Mol. Weight142.20
Refractive index1.4430 to 1.4460
Boiling Point239.124 °C at 760 mmHg
Density0.981
Flash Point126°C(lit.)
TSCAYes
Appearance 无色至微黄色油状液体。呈桃、椰子似甜果香气和燕麦面包香味。沸点234℃,闪点>100℃。溶于乙醇和油类,微溶于水,难溶于丙二醇。 天然品存在于杏和桃等中。
Melting Point91 °C

别名和识别编码

Chemical NameGamma-Octanoic Lactone
MDL NumberMFCD00005402
CAS Number104-50-7
Synonym 5-Butyldihydrofuran-2(3H)-one {LY} 5-Butyldihydrofuran-2(3H)-one {} {LY} 5-Butyldihydrofuran-2(3H)-one {} {} {LY} 5-Butyldihydrofuran-2(3H)-one {} {} {} {LY} 5-Butyldihydrofuran-2(3H)-one {} {} {} {} {LY} 5-Butyldihydrofuran-2(3H)-one {} {} {} {} {} {LY} 5-Butyldihydrofuran-2(3H)-one {} {} {} {} {} {} {LY} 5-Butyldihydrofuran-2(3H)-one {} {} {} {} {} {} {} {LY} 5-Butyldihydrofuran-2(3H)-one {} {} {} {} {} {} {} {} {LY} 5-Butyldihydrofuran-2(3H)-one {} {} {} {} {} {} {} {} {} {LY} 5-Butyldihydrofuran-2(3H)-one {} {} {} {} {} {} {} {} {} {} {LY} 5-Butyldihydrofuran-2(3H)-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Butyldihydrofuran-2(3H)-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Butyldihydrofuran-2(3H)-one {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Butyldihydrofuran-2(3H)-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Butyldihydrofuran-2(3H)-one {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID7704
EC Number203-208-1
Beilstein Registry Number0111677
Reaxys-RN111677
Chemical Name TranslationGamma-辛内酯
Wiswesser Line NotationT5OVTJ E4
LabNetwork Molecule IDLN00225597
InChIInChI=1S/C8H14O2/c1-2-3-4-7-5-6-8(9)10-7/h7H,2-6H2,1H3
Canonical SMILESO=C1OC(CCCC)CC1
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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} Alphabetical Listings, Certified Food Grade Products, Certified Natural Products, E-H, Flavors and Fragrances, Halal Certified Products,
  • {SNA} Alphabetical Listings,
  • {SA} Building Blocks, Carbonyl Compounds, Chemical Synthesis, Lactones,
  • {SNA} Alphabetical Listings, Certified Food Grade Products,

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: 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.

安全信息

GHS Symbol
WGK Germany1
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H303 May be harmfully swallowed 吞食可能有害
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSLU3562000
Signal word
Risk Statements
  • R38 Irritating to skin 刺激皮肤
  • 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
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护;
  • 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;
Hazard Codes Xi
Precautionary statements
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P302+P352+P332+P313+P362+P364
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • 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。
  • P332+P313
  • 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
  • P302+P350
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4400 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: 14,821,1976

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • MOL 文件:104-50-7.mol
  • FEMA:2796
  • 用途二:GB 2760一1996规定为允许使用的食用香料。主要用以配制奶油、香荚兰、干酪、焦糖、椰子、桃和杏等型香精。
  • Alfa Aesar:1,4-辛内酯,98% γ-Octanolactone, 98%(104-50-7)
  • 使用限量:FEMA(mg/kg):软饮料4.8;冷饮16;糖果16;焙烤食品17;布丁类15;糖浆57。 适度为限(FDA§172.515,2000)。
  • 上游原料:丁基环氧乙烷
  • 方法一:由1,2-环氧己烷与钠代丙二酸酯反应后,再皂化、内酯化而成。
  • 含量分析:按GT-10-4中用极性柱进行气相色谱法分析。
  • 用途一:适用于重花香型如栀子、晚香玉、风信子,甚至是百合香型中。亦可用作修饰剂或香豆素代用品,用于香薇、薰衣草及药草香型中。还可用于椰子、坚果、奶油、香荚兰豆、干酪焦糖、朗姆等型的食用香精中。
  • MSDS 信息:4-n-Butyl-4-hydroxybutyric acid lactone(104-50-7).msds
  • 丙位辛内酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 H0232 γ-辛内酯 gamma-Octanolactone 25G 604元 2010/06/21 129400250 丙位辛内酯 gamma-Octanoic lactone 98% 25 GR 701元 2010/06/21 129401000 丙位辛内酯 gamma-Octanoic lactone 98% 100 GR 1744元
  • 参考质量标准:FCC,1996 含量 ≥95.0% 折射率(n D 25 ) 1.443~1.447 相对密度(d 25 25 ) 0.970~0.980 醇中溶解度(OT-43) 1ml溶于3mL 50%或2mL60%乙醇 酸值(OT-4) ≤8.0
  • 毒性:GRAS(FEMA)。 LD50 4400 mg/kg(大鼠,经口)。
  • 不溶于水,易溶于醇类有机溶剂有浓甜药草、椰子样豆香气。
  • Sigma Aldrich:104-50-7(sigmaaldrich)
  • Acros Organics:gamma-辛内酯 gamma-Octanoic lactone, 98%(104-50-7)
  • 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-辛内酯 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-辛内酯 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
  • TCI Shanghai:γ-辛内酯 gamma-Octanolactone,>;96.0%(GC)(104-50-7)
  • 图谱信息:丙位辛内酯(104-50-7)红外图谱(IR2) 丙位辛内酯(104-50-7)红外图谱(IR1) 丙位辛内酯(104-50-7)Raman光谱 丙位辛内酯(104-50-7)核磁图( 1 HNMR) 丙位辛内酯(104-50-7)质谱(MS) 丙位辛内酯(104-50-7)核磁图( 13 CNMR)

系列性分类


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