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16436-00-3

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16436-00-3 Structure

16436-00-3 Structure

Identification	Back Directory
[Name] ACETOACETIC ACID N-OCTYL ESTER
[CAS] 16436-00-3
[Synonyms] Einecs 240-491-0 octyl acetoacetate Octyl 3-oxobutanoate N-OCTYL ACETOACETATE LABOTEST-BB LTBB001310 Acetoaceticacidoctylester n-Octyl Acetoacetate 3-Oxobutanoic acid octyl ester ACETOACETIC ACID N-OCTYL ESTER
[EINECS(EC#)] 240-491-0
[Molecular Formula] C12H22O3
[MDL Number] MFCD00059448
[MOL File] 16436-00-3.mol
[Molecular Weight] 214.3

Chemical Properties	Back Directory
[Boiling point ] 198 °C / 150mmHg
[density ] 0,94 g/cm³
[refractive index ] 1.4380-1.4420
[form ] clear liquid
[pka] 10.68±0.46(Predicted)
[color ] Colorless to Light yellow
[InChI] 1S/C12H22O3/c1-3-4-5-6-7-8-9-15-12(14)10-11(2)13/h3-10H2,1-2H3
[InChIKey] IKYDDBGYKFPTGF-UHFFFAOYSA-N
[SMILES] CCCCCCCCOC(=O)CC(C)=O
[LogP] 3.424 (est)

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H315-H319
[Precautionary statements ] P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[WGK Germany ] WGK 3
[HS Code ] 2918.30.9000
[HazardClass ] IRRITANT
[Storage Class] 11 - Combustible Solids

Spectrum Detail	Back Directory
[Spectrum Detail] ACETOACETIC ACID N-OCTYL ESTER(16436-00-3)MS ACETOACETIC ACID N-OCTYL ESTER(16436-00-3)IR1

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