Sodium 3-Acetyl-6-Methyl-2,4-Dioxo-3,4-Dihydro-2H-Pyran-3-Ide 3-乙酰基-6-甲基-2,4-二氧代-3,4-二氢-2H-吡喃-3-钠盐

CAS 4418-26-2 MFCD00040583

化学结构图

4418-26-2
SMILES: CC(=O)[c-]1c(=O)cc(C)oc1=O.[Na+]

化学属性

Mol. FormulaC8H7NaO4
Mol. Weight190
Density1.422
Melting Point295
TSCAYes
Appearance 白色或近白色结晶性粉末。无臭，略有特殊味道。熔点109～110℃。易溶于水(1g/3m1)、丙二醇(1g/2m1)及甘油(1g/7m1)。微溶于乙醇(1%)和丙酮(0.2%)。耐光、耐热性较好。水溶液于120℃加热2h仍保持稳定。水溶液呈中性或微碱性。

别名和识别编码

Chemical NameSodium 3-Acetyl-6-Methyl-2,4-Dioxo-3,4-Dihydro-2H-Pyran-3-Ide
CAS Number4418-26-2
EC Number224-580-1
Beilstein Registry Number4893653
MDL NumberMFCD00040583
Synonym 脱水乙酸钠 4-hexenoicacid,2-acetyl-5-hydroxy-3-oxo,delta-lactone,sodiumderivative[qr DEHYDROACETIC ACID SODIUM SALT 3-ACETYL-6-METHYL-2H-PYRAN-2,4(3H)-DIONE SODIUM SALT 3-Acetyl-4-hydroxy-6-me DHN 2-Acetyl-5-hydroxy-3-oxo-4-hexenoic acid δ-lactone sodium salt 2-ACETYL-5-HYDROXY-3-OXO-4-HEXENOIC ACID DELTA-LACTONE SODIUM SALT DHA-sodium 6-甲基-3 acetyl-6-methyl-2h-pyran-2,4(3h)-dione sodium 4(3h)-dione,3-acetyl-6-methyl-2h-pyran-sodiumsalt dhn 3-(1-hydroxyethylidene)-6-methyl-2h-pyran-2,4(3h)-dione,sodiumsalt[qr] Sodium dehydroacetate Kyselina dehydroacetova sodna Sodium 1-(3,4-dihydro-6-methyl-2,4-dioxo-2H-pyran-3-ylidene)ethanolate; 3-(1-hydroxyethylidene)-6-methyl-2H-pyran-2,4(3H)-dione sodium salt; Acetyl-6-methyl-2H-pyran-2,4(3H)-dione
PubChem Substance ID87566793
Chemical Name Translation3-乙酰基-6-甲基-2,4-二氧代-3,4-二氢-2H-吡喃-3-钠盐
Reaxys-RN4893653
Wiswesser Line NotationT6OV DV CHJ CV1 F1 &-NA-
LabNetwork Molecule IDLN01741291
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分类

  • {SNA} Building Blocks, Carbonyl Compounds, Carboxylic Acid Salts, Chemical Synthesis, Organic Building Blocks
  • {Chemicalbook} 食品添加剂: 防腐杀虫剂: 防腐剂

安全信息

Signal word
GHS Symbol
WGK Germany1
Safety Statements
Risk Statements
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.....
  • 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
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • P301+P312+P330
  • 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。
Hazard statements
  • H302 Harmful if swallowed 吞食有害
RTECSUP8400000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes Xn 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JACTDZ Journal of the American College of Toxicology.  (Mary Ann Liebert,
   Inc., 1651 Third Ave., New York, NY 10128)  V.1-12, 1982-1993. Discontinued.
    Volume(issue)/page/year: 4(3),123,1985

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   LONZA# Personal Communication from LONZA Ltd., CH-4002, Basel, Switzerland
   Volume(issue)/page/year: 02JUN1980

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 452 mg/kg
TOXIC EFFECTS :
   Behavioral - ataxia
   Lungs, Thorax, or Respiration - dyspnea
   Gastrointestinal - changes in structure or function of salivary glands
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 99,69,1950

TYPE OF TEST            : LD50 - Lethal dose,

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1050 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JACTDZ Journal of the American College of Toxicology.  (Mary Ann Liebert,
   Inc., 1651 Third Ave., New York, NY 10128)  V.1-12, 1982-1993. Discontinued.
    Volume(issue)/page/year: 4(3),123,1985

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Fibroblast
DOSE/DURATION           : 30 gm/L
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   22,623,1984

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 2500 mg/L
REFERENCE :
   GMCRDC Gann Monograph on Cancer Research.  (Plenum Pub. Corp., 233 Spring
   St., New York, NY 10013) No. 11-    1971-  Volume(issue)/page/year:
   27,95,1981

TYPE OF TEST            : Micronucleus test
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 125 mg/kg
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   26,487,1988

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 2 gm/kg
SEX/DURATION            : female 6-15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured
   before birth)
   Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
   NKEZA4 Nippon Koshu Eisei Zasshi.  Japanese Journal of Public Health.
   (Nippon Koshu Eisei Gakkai, 1-29-8 Shinjuku, Shinjuku-ku, Tokyo 160, Japan)
   V.1-    1954-  Volume(issue)/page/year: 27,91,1980

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 600 mg/kg
SEX/DURATION            : female 6-17 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   ESKHA5 Eisei Shikenjo Hokoku.  Bulletin of the Institute of Hygienic
   Sciences.  (Kokuritsu Eisei Shikenjo Kagaku, 18-1 Bushitsu Johobu,
   Setagaya-ku, Tokyo 158, Japan)  V.1-    1886-  Volume(issue)/page/year:
   (106

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 2 gm/kg
SEX/DURATION            : female 6-15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured
   before birth)
   Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
   NKEZA4 Nippon Koshu Eisei Zasshi.  Japanese Journal of Public Health.
   (Nippon Koshu Eisei Gakkai, 1-29-8 Shinjuku, Shinjuku-ku, Tokyo 160, Japan)
   V.1-    1954-  Volume(i

TYPE OF TEST            : TDLo - Lowes

其他信息

  • 用途一:用作食品添加剂、防腐剂、杀菌剂
  • 海关编码:29322980
  • Sigma Aldrich:4418-26-2(sigmaaldrich)
  • 上游原料:碳酸氢钠 --> 脱氢乙酸
  • 方法一:以氢氧化钠中和脱氢醋酸而得。
  • 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） 脱氢乙酸钠 淀粉制品 防腐剂 1.0 脱氢醋酸钠 熟肉制品、预制肉制品 防腐剂 0.5
  • 图谱信息:脱氢醋酸钠(4418-26-2)红外图谱(IR1) 脱氢醋酸钠(4418-26-2)红外图谱(IR2) 脱氢醋酸钠(4418-26-2)Raman光谱 脱氢醋酸钠(4418-26-2)核磁图( 13 CNMR) 脱氢醋酸钠(4418-26-2)核磁图( 1 HNMR)
  • Alfa Aesar:脱氢醋酸钠,97% Sodium dehydroacetate, 97%(4418-26-2)
  • MSDS 信息:Sodium 1-(3,4-dihydro-6-methyl-2,4-dioxo-2H-pyran-3-ylidene)ethanolate(4418-26-2).msds
  • 毒性:LD 50 0.57g/kg(大鼠，经口)；LD 50 1175mg/kg(小鼠，经口)。 可安全用于食品(FDA，§172．130，2000)。
  • 含量分析:精确称取试样约500mg，移入一125ml锥形烧瓶，加冰醋酸25ml，其中含有预经中和至蓝色的1%对萘酚苯的冰醋酸溶液1滴。用0.1mol/L过氯酸滴定至原来蓝色。每毫升0.1mol/L过氯酸相当于脱氢醋酸钠(C8H7NaO4)19.01mg。
  • MOL 文件:4418-26-2.mol
  • Acros Organics:脱氢醋酸钠 Dehydroacetic acid sodium salt, 99%(4418-26-2)
  • 使用限量:FDA§172．130(2000)：切碎或剥皮柔鱼类，65mg/kg。 FDA，§180．159(2000，mg/kg)：最高残留量，香蕉30，去皮香蕉果肉10，草莓65。 日本(以脱氢醋酸计)：干酪、奶油、人造奶油0.5g/kg(本品0.61g)。 GB 2760—2002：汤料(调味料、速食汤料)、糕点(包括蛋糕、月饼、馅料等)，0.5g/kg。
  • 用途二:防腐剂；防霉剂。
  • 参考质量标准:FCC，1996 含量(以无水物计) 98.0%～100.5% 重金属(以Pb计；GT-16-2，试样2g) ≤10mg/kg 水分(GT-32-1) 8.5%～10.0%
  • 脱氢醋酸钠价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 364855000 脱氢醋酸钠 Dehydroacetic acid sodium salt 99% 500 GR 1847元 2010/06/21 364850025 脱氢醋酸钠 Dehydroacetic acid sodium salt 99% 2.5 KG 5816元 2010/05/25 B21060 脱氢醋酸钠, 97% Sodium dehydroacetate, 97% 2.5kg 6384元

系列性分类

  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Organic Acids - Synthetic Reagents
  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. Carboxylic Acids - Carbonyl Compounds
  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. Carboxylic Acid Salts - Carbonyl Compounds
  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. Carboxylic Acid Anhydrides

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