CAS 591-12-8 MFCD00005375-Alpha-Angelica Lactone Alpha-当归内酯 TAO{mole}

Alpha-Angelica Lactone Alpha-当归内酯

CAS 591-12-8 MFCD00005375

化学结构图

SMILES: CC1=CCC(=O)O1

化学属性

Mol. Formula	C5H6O2
Mol. Weight	98
Density	1.092
Boiling Point	55-56
Melting Point	13-17
Refractive index	1.4460 to 1.4490
Flash Point	68°C(lit.)
TSCA	Yes
Solubility	5 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 Name	Alpha-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 Number	591-12-8
EC Number	209-701-8
Beilstein Registry Number	108394
MDL Number	MFCD00005375
PubChem Substance ID	11559
Merck Number	647
Reaxys-RN	108394
Chemical Name Translation	Alpha-当归内酯
Wiswesser Line Notation	T5OV CHJ E1
LabNetwork Molecule ID	LN01294952
InChI	InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2H,3H2,1H3

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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