CAS 4418-26-2 MFCD00040583-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 TAO{mole}

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

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

化学属性

Mol. Formula	C8H7NaO4
Mol. Weight	190
Density	1.422
Melting Point	295
TSCA	Yes
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 Name	Sodium 3-Acetyl-6-Methyl-2,4-Dioxo-3,4-Dihydro-2H-Pyran-3-Ide
CAS Number	4418-26-2
EC Number	224-580-1
Beilstein Registry Number	4893653
MDL Number	MFCD00040583
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 ID	87566793
Chemical Name Translation	3-乙酰基-6-甲基-2,4-二氧代-3,4-二氢-2H-吡喃-3-钠盐
Reaxys-RN	4893653
Wiswesser Line Notation	T6OV DV CHJ CV1 F1 &-NA-
LabNetwork Molecule ID	LN01741291

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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