CAS 4940-11-8 MFCD00059795-Ethyl maltol, 99%, reference material 2-乙基-3-羟基-4-吡喃酮 TAO{mole}

Ethyl maltol, 99%, reference material 2-乙基-3-羟基-4-吡喃酮

CAS 4940-11-8 MFCD00059795

化学结构图

SMILES: CCc1occc(=O)c1O

化学属性

Mol. Formula	C7H8O3
Mol. Weight	140.14
Melting Point	85-95°C
Appearance	150mg/kg，Adl 0~2mg/kg(FAO/WHO，1994)。 50 白色或微黄色针状结晶或结晶性粉末，具有甜蜜的焦糖的香气。熔点89～93℃。溶于热水、乙醇等有机溶剂，微溶于水。在水中溶解度(g/100mL)为：15℃时1.53、25℃时1.81、100℃时16.66，水溶液呈微酸性，乙醇中为10.0，丙二醇中为5.88。在室温下有较大的挥发度，宜密闭贮存。大白鼠经口LD
Density	1.261
Boiling Point	290.3 °C at 760 mmHg

别名和识别编码

Chemical Name	Ethyl maltol, 99%, reference material
MDL Number	MFCD00059795
CAS Number	4940-11-8
Synonym	Ethyl maltol {LY} Ethyl maltol {} {LY} Ethyl maltol {} {} {LY} Ethyl maltol {} {} {} {LY} Ethyl maltol {} {} {} {} {LY} Ethyl maltol {} {} {} {} {} {LY} Ethyl maltol {} {} {} {} {} {} {LY} Ethyl maltol {} {} {} {} {} {} {} {LY} Ethyl maltol {} {} {} {} {} {} {} {} {LY} Ethyl maltol {} {} {} {} {} {} {} {} {} {LY} Ethyl maltol {} {} {} {} {} {} {} {} {} {} {LY} Ethyl maltol {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl maltol {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl maltol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl maltol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl maltol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl maltol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl maltol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl maltol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl maltol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID	21059
EC Number	225-582-5
Reaxys-RN	1618110
Merck Number	3824
Chemical Name Translation	2-乙基-3-羟基-4-吡喃酮
Beilstein Registry Number	1618110
LabNetwork Molecule ID	LN00235822
InChI	InChI=1S/C7H8O3/c1-2-6-7(9)5(8)3-4-10-6/h3-4,9H,2H2,1H3
Canonical SMILES	O=C1C(O)=C(CC)OC=C1

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分类

{SNA} Alphabetical Listings, Certified Food Grade Products, E-F, E-G, E-H, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products
{SNA} A-F, Alcoholic & Nonalcoholic Beverages, All Alphabetically Sorted, Analytical Standards, Analytical/Chromatography, Chromatography, Coffee, E numbers (Food Additives), E600–E699 (flavor enhancers), E637, Flavors and Fragrances, Food & Beverage Standards, Food Products & Beverages, Substance Classification, other
{SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Bl

安全信息

WGK Germany3

GHS Symbol

Hazard statements

H302 Harmful if swallowed 吞食有害

RTECSUQ0840000

Signal word Warning

Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves

Hazard Codes Xn

Safety Statements

S36 Wear suitable protective clothing 穿戴适当的防护服；

Risk Statements

R22 Harmful if swallowed 吞咽有害

Precautionary statements

P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P501 Dispose of contents/container to..… 处理内容物/容器.....
P330 Rinse mouth. 漱口
P301+P317
P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 910 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CPBTAL Chemical and Pharmaceutical Bulletin.  (Japan Pub. Trading Co., USA,
   1255 Howard St., San Francisco, CA 94103)  V.6-    1958-
   Volume(issue)/page/year: 22,1008,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Bird - chicken
DOSE/DURATION           : 1270 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   15,604,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 780 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   15,604,1969

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 :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 13,805,1975

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - r

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 2 mg/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 67,367,1979

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

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）乙基麦芽酚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
Sigma Aldrich:4940-11-8(sigmaaldrich)
乙基麦芽酚价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 H0550 2-乙基-3-羟基-4-吡喃酮 2-Ethyl-3-hydroxy-4-pyrone 25G 320元
毒性:ADI 0～2(FAO/WHO，1994)。 LD 50 150mg/kg(大鼠，经口)。慢性毒理试验以200mg/kg/d的剂量饲养大鼠二年，其生长、体重、血检等均正常。
用途四:我国GB2760-86规定为允许使用的食和香料。主要用在配制草莓、葡萄、菠萝、香草等香精。乙基麦芽酚是一种香味增效剂，广泛诮用于食品、香烟药物、饮料、牙膏和化妆品，是一种安全无毒，具有增香、增甜、保香和掩盖异味等作用的食品添加剂。和麦芽酚同属于吡喃酮衍生物，乙基麦芽酚增香效果是麦芽酚的6倍左右。小鼠口服LD5050-1200mg/kg。
TCI Shanghai:2-乙基-3-羟基-4-吡喃酮 2-Ethyl-3-hydro
方法二:糠醇法糠醇在甲醇水溶液中经通人氯气氯化生成4-氯代-6-羟基-2[H]-吡喃-3[6H]-酮，然后加热水解得焦袂康酸；在碱性条件下焦袂康酸与乙醛缩合得羟乙基焦袂康酸，在盐酸中用锌粉将其还原为乙基麦芽酚。糠醛法糠醛与乙基溴化镁作用得到乙基糠醇，然后在甲醇水溶液中、0℃下通氯气氧化，接着加热至100℃水解得乙基麦芽酚。此法原料来源广、路线短、工艺条件温和、设备简单、三废少，有较好的发展前景。半合成法以淀粉为原料，经犁头霉发酵制得曲酸；曲酸与氯化苄在氢氧化钠-甲醇溶液中醚化生成曲酸苄醚；然后用二氧化锰氧化成考门酸苄醚，并在盐酸存在下脱苄生成考门酸；再经脱羧成为焦袂康酸，最后与乙醛缩合，并用锌粉还原成麦芽酚。
所属类别二:食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香料
使用限量:FEMA(mg/kg)：软饮料12.4；冷饮144；软糖139；焙烤食品152；布丁、果酱、胶冻制品119；胶姆糖83；肉类制品、汤料19.6；硬糖27.9；酒类18.6。美国多用于巧克力、甜食和葡萄酒。适度为限(FDA§172．515.2000)。 100mg／L(BATF-27CFR§
方法三:主要有发酵法、糖醇氯化法和糖醛法。1.发酵法由淀粉发酵得到麯酸，再经醚化、氧化、脱苄、脱羧、羟基化、还原而得乙基麦牙酚。2.糖醇氯化法糖醇用氯气氧化（或用次氯酸钠氧化），加热分解得焦糖酸，然后与乙醛反应，还原得乙基麦芽酚。3.糖醛法以糠醛为原料与乙基格氏试剂反应制得糠基丙酮，再用氯气氧化，然后水解制取乙基麦芽酚。
用途二:乙基麦芽酚是我国规定允许使用的食用香料，香味比麦芽酚强4～6倍，具有显著的增香作用。主要用于配制糖果、糕点、巧克力和烟酒的香精。用量按正常生产需要，一般在糖果和口香糖中5～50mg/kg;冰淇淋、调味料、果冻中5~15mg/kg；软饮料中为1.5~6mg/kg。
参考质量标准二:12487—1990 含
鉴别试验:标准溶液的制备准确称取标准乙基麦芽酚50mg，溶于0.1mol/L的盐酸并定容至250.0ml，混合。取此溶液5.0ml移入一100ml容量瓶，用0.1mol／L盐酸稀释至刻度，混匀。含量10μg/ml。试样液的制备准确称取试样约50mg，用0.1mol／L盐酸溶解并定容至250.0ml，混合。取此液5.0ml移入一100ml容量瓶，再用0.1mol/L
图谱信息:乙基麦芽酚(4940-11-8)核磁图( 13 CNMR) 乙基麦芽酚(4940-11-8)Raman光谱乙基麦芽酚(4940-11-8)红外图谱(IR1) 乙基麦芽酚(4940-11-8)红外图谱(IR2) 乙基麦芽酚(4940-11-8)质谱(MS)
所属类别一:食品添加剂: 食品香料