CAS number
7786-58-5

Molecular formula
C13H26O2

SMILES
CCCCCCCCOC(=O)CC(C)C

Retention indicies (RI)

• Carbowax: 1655.0

fruity	92.07%
green	72.4%
herbal	64.54%
oily	59.2%
apple	58.01%
winey	57.52%
waxy	51.44%
sweet	48.72%
fatty	48.7%
floral	48.46%

Scent© AI

XLogP3-AA
4.7 Well soluble in BB, DEP, IPM

Molecular weight
214.34 g/mol

Boiling points

• 249.00 to 251.00 °C. @ 760.00 mm Hg

Solubilities

• soluble in alcohol; insoluble in water

• Octyl isovalerate
• Octyl 3-methylbutanoate
• 7786-58-5
• Octyl isopentanoate
• Isovaleric acid, octyl ester
• Octyl isovalerianate
• Octyl 3-methylbutyrate
• Butanoic acid, 3-methyl-, octyl ester
• ENT 30598
• FEMA No. 2814
• octyl 3-methyl-butanoate
• TR83HG1KKX
• Octyl isovalerate (natural)
• EINECS 232-100-7
• NSC 21891
• NSC-21891
• AI3-30598
• DTXSID9064847
• N-OCTYL ISOVALERATE [FHFI]
• Isovaleric acid, octyl ester (8CI)
• WE(8:0/4:0(3Me))
• UNII-TR83HG1KKX
• n-Octyl-3-methyl butyrate
• n-Octylisovalerianat
• N-OCTYL ISOVALERATE
• SCHEMBL872735
• DTXCID5048051
• FEMA 2814
• CHEBI:180099
• Octyl isovalerate, >=98%, FG
• NSC21891
• Butanoic acid,3-methyl-,octyl ester
• LMFA07010512
• NS00022796
• Q27290204
• 232-100-7
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