Alpha-Angelica Lactone Alpha-当归内酯

CAS 591-12-8 MFCD00005375

化学结构图

591-12-8
SMILES: CC1=CCC(=O)O1

化学属性

Mol. FormulaC5H6O2
Mol. Weight98
Density1.092
Boiling Point55-56
Melting Point13-17
Refractive index1.4460 to 1.4490
Flash Point68°C(lit.)
TSCAYes
Solubility5 G/100 ML (25 ºC)
Appearance 天然品存在于大果酸果蔓、葡萄干、加热过的黑莓、面包、水解大豆蛋白和甘草等中。 透明亮黄至淡黄色液体。呈甜的草药香气,有烟草回味。熔点18℃,沸点167~170℃或55~56℃(1600Pa)。溶与乙醇,微溶于水。

别名和识别编码

Chemical NameAlpha-Angelica Lactone
Synonym 2,3-Dihydro-5-methyl-2-furanone gamma-Methyl-beta,gamma-crotonolactone 5-methyl-2(3H)-furanone 3-PENTEN-4-OLI 4-Hydroxypent-3-enoic acid l 4-羟基-3-戊烯酸-γ-内酯 α-Angelica lactone α-Angelicalactone 2-Oxo-5-methyl-2,3-dihydrofuran 4-Methyl-2(3H)-furanone 5-甲基-3H-呋喃-2-酮 {Chemi 5-甲基-2(3H)-呋喃酮 β-γ-Angelica-Lacton 3-Pentenoic acid, 4-hydroxy-, gamma-l α-当归内酯 5-Methyl-3H-fu α(β,γ or Δ2)-Angelica lactone 4-hydroxy-3-pentenoicacigamma-lactone 4-HYDROXY-3-PENTENOIC ACID G-LACTONE 4-Hydroxy-3-pentensäurelacton {uni_ham 4-HYDROXY-3-PENTANOIC ACID GAMMA-LACTONE A-当归内酯 γ-lactone 5-Methyl-2(3H)-furanone, 4-Hydroxy-3-pente {Che A-ANGELICALACTONE
CAS Number591-12-8
EC Number209-701-8
Beilstein Registry Number108394
MDL NumberMFCD00005375
PubChem Substance ID11559
Merck Number647
Reaxys-RN108394
Chemical Name TranslationAlpha-当归内酯
Wiswesser Line NotationT5OV CHJ E1
LabNetwork Molecule IDLN01294952
InChIInChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2H,3H2,1H3
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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} A,
  • {uni_hamburg} no charge; oxygen heterocycle; alicycle; 5ring; ester; lactone; 1fragment
  • {SNA} A - D, A-B, A-D, Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products
  • {SNA} A, A-F, AA to AL, Alcoholic & Nonalcoholic Beverages, All Alphabetically Sorted, Almond, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Bread, Chromatography, Coffee, Flavors and Fragrances, Food & Beverage Standards, Food Products & Beverages,

相关文献及参考

  • [2]. E M J van der Logt, et al. Induction of Rat Hepatic and Intestinal UDP-glucuronosyltransferases by Naturally Occurring Dietary Anticarcinogens. Carcinogenesis. 2003 Oct;24(10):1651-6.
  • [3]. Lin Zhou, et al. Catalytic Asymmetric Vinylogous Mannich-type (AVM) Reaction of Nonactivated α-Angelica Lactone. Org Lett. 2011 Jun 17;13(12):3056-9.
  • [4]. Jessica A Griswold, et al. Diastereoselective Organocatalytic Addition of α-Angelica Lactone to β-Halo-α-ketoesters. J Org Chem. 2017 Feb 17;82(4):2276-2280.
  • Short: II/19b Title: Molecular Constants: Rotational, Centrifugal Distortion and Related Constants of Diamagnetic Asymmetric Top Molecules Author: Demaison, J.; Hüttner, W.; Vogt, J.; Wlodarczak, G. Editor: Hüttner, W. Source: Landolt-Börnstein, New Series Volume: II/19b Year: 1992 Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy ISBN: 3-540-54578-6 ISBN: 978-3-540-54578-1 Internet Resource: DOI:10.1007/b44334

安全信息

Signal word Warning
GHS Symbol
WGK Germany2
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
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。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
  • 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。
RTECSLU5075000
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)
Hazard statements
  • H227 Combustible liquid 可燃液体
Storage condition 2-8°C
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3900 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - ptosis
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0571138

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   APTOA6 Acta Pharmacologica et Toxicologica.  (Copenhagen, Denmark)  V.1-59,
   1945-86.  For publisher information, see PHTOEH  Volume(issue)/page/year:
   2,109,1946

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2800 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   DCTODJ Drug and Chemical Toxicology.  (Marcel Dekker, 270 Madison Ave., New
   York, NY 10016) V.1-    1977/78-  Volume(issue)/page/year: 3,249,1980

其他信息

  • 用途二:食品用香料。
  • TCI Shanghai:α-当归酸内酯 alpha-Angelicalactone,>;97.0%(GC)(591-12-8)
  • 可燃性危险特性:明火可燃; 燃烧产生刺激烟雾
  • 毒性分级:中毒
  • 急性毒性:口服-大鼠LD50: 2800 毫克/公斤; 腹腔-小鼠LD50: 3000 毫克/公斤
  • Alfa Aesar:a-当归内酯,98% alpha-Angelicalactone, 98%(591-12-8)
  • 类别:有毒物品
  • Sigma Aldrich:591-12-8(sigmaaldrich)
  • 使用限量:FEMA(mg/kg):冷饮、乳制品,0.2;糖果、布丁类、凝胶制品、肉制品、汤料、谷类制品,均2.0。
  • F:10-21
  • 用途一:用作香料
  • 图谱信息:当归内酯(591-12-8)红外图谱(IR1) 当归内酯(591-12-8)质谱(MS) 当归内酯(591-12-8)核磁图( 1 HNMR) 当归内酯(591-12-8)核磁图( 13 CNMR)
  • 毒性:GRAS(FEMA)。
  • Acros Organics:ALPHA-当归内酯 alpha-Angelica lactone, 98%(591-12-8)
  • FEMA:3293
  • 当归内酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A1090 α-当归内酯 alpha-Angelicalactone 25G 506元 2010/06/21 104760500 当归内酯 alpha-Angelica lactone 98% 50 ML 1354元 2010/05/25 L07602 a-当归内酯, 98% alpha-Angelicalactone, 98% 25g 753元
  • MSDS 信息:alpha-Angelica lactone(591-12-8).msds
  • 储运特性:库房通风低温干燥; 与氧化剂、食品添加剂分开存放
  • MOL 文件:591-12-8.mol
  • 灭火剂:雾状水、泡沫、二氧化碳、砂土
  • 参考质量标准:FAO/WHO,1998 含量(GT-10-4) ≥95.0% 折射率(n D 20 ) 1.443~1.451 相对密度(d 20 20 ) 1.084
  • 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) α-当归内酯 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

系列性分类


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