25016-16-4

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25016-16-4 Structure

Identification	Back Directory
[Name] Ethanone, 1-(1H-pyrazol-4-yl)- (9CI)
[CAS] 25016-16-4
[Synonyms] 25016-16-4 4-ACETYLPYRAZOLE 1-(1H-Pyrazol-4-yl) 4-Acetyl-1H-pyrazole 1-(1H-Pyrazol-4-yl)ethanone 1-(1H-pyrazol-4-yl)ethan-1-one Ethanone, 1-(1H-pyrazol-4-yl)- Ethanone, 1-(1H-pyrazol-4-yl)- (9CI)
[Molecular Formula] C5H6N2O
[MDL Number] MFCD09878739
[MOL File] 25016-16-4.mol
[Molecular Weight] 110.114

Chemical Properties	Back Directory
[Melting point ] 114-115 °C
[Boiling point ] 277.7±13.0 °C(Predicted)
[density ] 1.190±0.06 g/cm3(Predicted)
[storage temp. ] Sealed in dry,Room Temperature
[pka] 11.20±0.50(Predicted)
[Appearance] off-white to yellow powder
[InChI] InChI=1S/C5H6N2O/c1-4(8)5-2-6-7-3-5/h2-3H,1H3,(H,6,7)
[InChIKey] SSGVCJCDGSZFJI-UHFFFAOYSA-N
[SMILES] C(=O)(C1=CNN=C1)C
[LogP] -0.051 (est)

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H302+H312+H332-H315-H319
[Precautionary statements ] P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
[HS Code ] 2933992000

Hazard Information	Back Directory
[Uses] 4-Acetylpyrazole was used to identify and study sensory characterization of volatile flavor compounds in sesame seed oil and of salmon meat.

Spectrum Detail	Back Directory
[Spectrum Detail] Ethanone, 1-(1H-pyrazol-4-yl)- (9CI)(25016-16-4)¹HNMR

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