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Product nomen: |
Ethyl acetoacetate |
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Synonyma: |
ACIDUM ETHYL ESTER 3-OXOBUTANOICUM;3-OXOBUTYRICUM ACIDUM ETHYL ESTER;3-KETOBUTANOICUM ACIDUM ETHYL ESTER;ACETOACETICUM ESTER, ESTER ACEOACETIC (ETHYL); |
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CAS; |
141-97-9 |
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MF: |
C6H10O3 |
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MW: |
130.14 |
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EINECS: |
205-516-1 |
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Categoria: |
Pharmaceutical intermedia; Organica; API media; p.a. |
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Mol fasciculi: |
141-97-9.mol . |
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punctum liquescens |
−43 °C(lit.) |
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fervens |
181 °C(lit.) |
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density |
1.029 g/mL ad 20 °C(lit.) |
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vapor density |
4.48 (vs. caeli); |
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vapor pressura |
1 mm Hg (28.5 °C) |
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refractivus index |
n20/D 1.419 |
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FEMA |
2415 | ETHYL ACETOACETATE |
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Fp |
185 °F |
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repono temp. |
Repone infra +30°C. |
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solubility |
116 g/L (20°C) |
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pka |
11 (at 25℃) |
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forma |
Liquid |
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color |
APHA: ≤15 |
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Gravitas Imprimis |
1.027~1.035 (20/4℃) |
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Relativum verticitatem |
0.577 |
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Odor |
Jucunda, fruity. |
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PH |
4.0 (110g/l, H2O, 20℃) |
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explosive modum |
1.0-54%(V) |
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Aqua Solubility |
116 g/L (20 C) |
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JECFA Number |
595 |
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Merck |
14,3758 |
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BRN |
385838 |
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Stabilitas: |
Stabulum. Repugnare cum acida, bases, agentium oxidizing, reducendo agentia, metalla alcali. Combustible. |
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InChIKey |
XYIBRDXRRQCHLP-UHFFFAOYSA-N |
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CAS Reference |
141-97-9 (CAS Reference) |
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NIST Chemia Reference |
Acidum butanoicum, oxo- 3-, ethyl niensis (141-97-9) ; |
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EPA Substantia Registry System |
Ethyl acetoacetate (141-97-9) |
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Periculum Codes |
Xi |
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Periculum Denunciationes |
36 |
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Salus Denunciationes |
26-24/25 |
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RIDADR |
ET 1993 |
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WGK Germania |
1 |
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RTECS |
AK5250000 |
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Autoignition Temperature |
84 °F |
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TSCA |
Ita |
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HazardClass |
3.2 |
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PackingGroup |
III |
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HS Code |
29183000 |
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Ancipitia substantiae Data |
141-97-9 (Ancipitia substantiarum data); |
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Toxicity |
LD50 viva voce in muribus: 3.98 g/kg (Smyth) |
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Descriptio |
Compositum organicum ethyl acetoacetatum (EAA) est ethyl niensis acidi acetoacetici. Praecipue adhibetur ut medium chemicum in varietate compositorum producenda, ut amino acida, analgesica, antibiotica, agentia antimalaria, antipyrine et amino pyrine et vitaminum B1; necnon fucorum, atramentorum, atramentorum, unguentorum, materiarum, ac flavorum pigmentorum. Solus, pro sapore pro cibo ponitur. |
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Chemical Properties |
Ethyl acetoacetate proprium habet aetherem similem, fructuosum, amoenum, refrigerium odoris. |
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Chemical Properties |
Ethyl 3-Oxobutanoate liquor est hyalinus cum fructuoso , aethereo , suavi odore simile pomorum viridium . Solet creare recentes, frugiferas notas in foemineis suavissimis odoribus. Ethyl acetoacetate contingit in saporibus materiarum naturalium, ut capulus, fraga, et fructus passionis lutei. |
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Productio Methodi |
Ethyl acetoacetate fabricatur per reactionem altae puritatis ethyl acetatis cum sodio, quam sequitur neutralisatio cum acido sulphurico. |
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Praeparatio |
Ethyl acetoacetate industrialiter tractando diketen cum ethanolo nascitur. |
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Aroma limina values |
Deprehensio: 520 ppb. Aroma proprietatum ad 10%: pomum dulce pomiferum, fermentatum, leviter fusel-simile et rummy, fixa fructuosa cum nuances tropica. |
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Gustus limina values |
Gustus characteres in 100 ppm: Musa fructuosa, pomi et uvae albae cum estry viridis et tropicae nuances. Taste characteres 300 ppm: esterus, pinguis, fructuosus et tutti-frutti |
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General Description |
A hyalina liquore cum fructu odoris. Flash punctus 185°F. Fervens 365°F. Potest facere adversa valetudo effectus, si ingestum vel attractum. Ad cutem, oculos et membranulas mucosae. Adhibentur organice synthesi et in lacquers et fucis. |
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Purificationis Methodi |
Excutere niensis cum exiguis saturis aqueis NaHCO3 (usque ad nullam ulteriorem effervescentiam), deinde aqua. MgSO4 vel CaCl2 eam excoquatur et eam sub pressione reducat. [Beilstein 3 IV 1528.] |
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Rudis materiae |
Etanol-->Sodium-->Sodium ethoxide-->Acetyl ketene-->Methanum |
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Praeparatio Products |
2,4-DIMETHYLQUINOLINE-3-CARBOXYLICUM-->4-CHLORO-II,6-DIMETHYL-NICOTINICI ACIDUM-->ETHYL-II-HYDROXY-4-METHYL-V-PYRIMIDINECARBOXYLATUM-->BISPYRAZOLONE-->ETHYLUM. 4-CHLORO-2,6-DIMETHYLPYRIDINE-3-CARBOXYLATE-->TIADINIL-->1-BROMO-5-HEXANONE-->3-CHLORO-4-METHYL-7-HYDROXYCOUNMARIN-->5,7-DIHYDROXY--METHYLCOUMARINUM-->5-METHYL-1H-PHENI-->5-METHYL-1H-PHENI. ACID-->7,8-DIHYDROXY-4-METHYLCOUMARIN-->6-TERT-BUTYL-4-METHYLCOUMARIN-->2-Amino-6-methyl-4-pyrimidinol-->4,7-DIMETHYLCOUMARIN-->1,3-DIMETHYL-V-HYDRXYPYRAZOLI loro-6-methyl-2-(methylthio)pyrimidine-->(5-METHYL-1-PHENYL-1H-PYRAZOL-4-YL)METHANOL-->7-Acetoxy-4-methylcoumarin-->Pentoxifyllinum-->4-Methylumbelliferonem-> Disperse flavum H-4GL-->ETHYL 2,4-DIMETHYLQUINOLINE-3-CARBOXYLATUM-->3-METHYL-5-PHENYL-4-ISOXAZOLECARBOXYLIC ACIDUM--> PHENOXYACETICUM ACIDUM--> CHRYSIN-->CLORICROMENE-->ETHYL 2-[2-(diethylamino) ethylamino. 5-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLATUM-->6-METHYL-2-(methylthium)pyrimidin-4-ol-->ETHYL. 2-ACETYL-3-OXO-HEXANOATE-->4-HYDROXY-II-METHYLQUINOLINE-->3-ETHOXYCARBONYL-5,6-DIHYDRO-2-METHYL-4H-PYRAN-->1-(6-CHLORO-2-HYDROXY-4-PHENYL-QUINOLIN-YL>-MARINA--ETHYLCU-YL. Acid-->Ethyl 3-anilinobut-2-enoate-->Ethyl 3-hydroxybutyrate-->ETHYL 2-(HYDROXYIMINO)-3-OXOBUTANOATE-->N-Phenylglycinerum potassae salis-->3-ethyl-4-methyl-3-pyrrolin-2-unum |