60948-91-6

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60948-91-6 Structure

Identification	Back Directory
[Name] 2-HEXYLOCTANOIC ACID
[CAS] 60948-91-6
[Synonyms] Ai3-11063 Einecs 262-534-2 Hexyloctanoic acid 2-hexyl-octanoicaci 2-HEXYLOCTANOIC ACID 2-BUTYL DECANOIC ACID Octanoic acid, 2-hexyl-
[EINECS(EC#)] 262-534-2
[Molecular Formula] C14H28O2
[MDL Number] MFCD02262178
[MOL File] 60948-91-6.mol
[Molecular Weight] 228.37

Chemical Properties	Back Directory
[Boiling point ] 159-160 °C(Press: 4 Torr)
[density ] 0.8895 g/cm3
[refractive index ] 1.4421 (589.3 nm 20℃)
[storage temp. ] Storage temp. 2-8°C
[pka] 4.90±0.40(Predicted)
[Appearance] Colorless to light yellow Liquid
[InChI] InChI=1S/C14H28O2/c1-3-5-7-9-11-13(14(15)16)12-10-8-6-4-2/h13H,3-12H2,1-2H3,(H,15,16)
[InChIKey] SQPZLZZLAPHSPL-UHFFFAOYSA-N
[SMILES] C(O)(=O)C(CCCCCC)CCCCCC
[LogP] 5.636 (est)
[EPA Substance Registry System] 2-Hexyloctanoic acid (60948-91-6)

Safety Data	Back Directory
[TSCA ] TSCA listed

Spectrum Detail	Back Directory
[Spectrum Detail] 2-HEXYLOCTANOIC ACID(60948-91-6)¹HNMR

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