5-Hydroxyoctanoic Acid Lactone 5-辛内酯

CAS 698-76-0 MFCD00144051

化学结构图

698-76-0
SMILES: CCCC1CCCC(=O)O1

化学属性

Mol. FormulaC8H14O2
Mol. Weight142.20
Density0.998
Refractive index1.4540 to 1.4570
Flash Point125°C(lit.)
TSCAYes
Boiling Point238 °C at 760 mmHg
Melting Point-14 °C
Appearance 无色至淡黄色液体，呈可可、椰子和乳脂似香气。

别名和识别编码

Chemical Name5-Hydroxyoctanoic Acid Lactone
MDL NumberMFCD00144051
CAS Number698-76-0
Synonym δ-Octanolactone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
EC Number211-820-5
Beilstein Registry Number111515
Chemical Name Translation5-辛内酯
Reaxys-RN111515
PubChem Substance ID87574212
LabNetwork Molecule IDLN00224210
Canonical SMILESCCCC1CCCC(O1)=O
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分类

  • {SNA} Building Blocks, C7 to C8, C8 to C9, Carbonyl Compounds, Chemical Synthesis, Esters, Ketones, Lactones, Organic Building Blocks
  • {Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香

安全信息

RTECSUQ1355500
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
  • 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
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
Precautionary statements
  • 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。
  • 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。
  • P332+P313
  • P305+P351+P338+P337+P313
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P305+P351+P338
  • P337+P313
  • P302+P350
GHS Symbol
WGK Germany2 
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 :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   20,783,1980

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 :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   20,783,1980

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

  • 方法一:由5-羟基辛酸用NaBH4还原内酯化而成。
  • TCI Shanghai:5-辛内酯 delta-Octanolactone,>;98.0%(GC)(698-76-0)
  • 浓甜奶油、椰子香、柔和香草香气，不溶于水，易溶于醇类有机溶剂。
  • FEMA:3214
  • 上游原料:2-羟基辛酸
  • 参考质量标准:FCC，1996；FAO/WHO，1998 含量 ≥98% 折射率 1.452～1.458 相对密度 0.994～0.999
  • 图谱信息:丁位辛内酯(698-76-0)质谱(MS) 丁位辛内酯(698-76-0)红外图谱(IR1) 丁位辛内酯(698-76-0)核磁图( 13 CNMR)
  • MOL 文件:698-76-0.mol
  • 丁位辛内酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 O0220 δ-辛内酯 delta-Octanolactone 25G 534元 2010/05/25 L14303 δ－辛醇内酯, 98% delta-Octanolactone, 98% 25g 564元 2010/05/25 L14303 δ－辛醇内酯, 98% delta-Octanolactone, 98% 100g 1568元
  • 使用限量:FEMA(mg/kg)：饮料、冰淇淋、糖果、焙烤食品、明胶和布丁、人造奶油、沙拉油、起酥油，均20。
  • 含量分析:按气液色谱法(GT-10-4)用极性柱进行测定。
  • Alfa Aesar:δ－辛醇内酯,98% delta-Octanolactone, 98%(698-76-0)
  • 用途一:GB 2760-1996规定为允许使用的食用香料。
  • 毒性:GRAS(FEMA)。

系列性分类

  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. C8 to C9 - Esters

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