Chemical Properties of Perillaketone (CAS 553-84-4)

InChI

InChI=1S/C10H14O2/c1-8(2)3-4-10(11)9-5-6-12-7-9/h5-8H,3-4H2,1-2H3

InChI Key

LVHLZMUFIYAEQB-UHFFFAOYSA-N

Formula

C10H14O2

SMILES

CC(C)CCC(=O)c1ccoc1

Molecular Weight¹

166.22

CAS

553-84-4

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-7.30		Crippen Calculated Property
logPoct/wat	2.898		Crippen Calculated Property
McVol	139.740	ml/mol	McGowan Calculated Property
Inp	[1230.00; 1252.00]
Inp	1230.00		NIST
Inp	1248.00		NIST
Inp	1249.00		NIST
Inp	1252.00		NIST
Inp	1230.00		NIST
Inp	1248.00		NIST
I	1811.00		NIST

Similar Compounds

Find more compounds similar to Perillaketone.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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