Chemical Properties of 4H-Pyran-4-one, 3,5-dihydroxy-2-methyl- (CAS 1073-96-7)

InChI

InChI=1S/C6H6O4/c1-3-5(8)6(9)4(7)2-10-3/h2,7-8H,1H3

InChI Key

SSSNQLHKSUJJTE-UHFFFAOYSA-N

Formula

C6H6O4

SMILES

Cc1occ(O)c(=O)c1O

Molecular Weight¹

142.11

CAS

1073-96-7

Other Names

• 3,5-Dihydroxy-2-methyl-4-pyrone
• 3,5-Dihydroxy-2-methyl-4H-pyran-4-one
• 5-Hydroxymaltol
• 2-Methyl-3,5-dihydroxy-4H-pyran-4-one
• 3,5-Dihydroxy-6-methyl-4-pyrone
• Hydroxymaltol
• 3,5-Dihydroxy-2-methyl-4H-pyran-4-one (hydroxymaltol)
• 3,5-Dihydroxy-6-methyl-4H-pyran-4-one

• 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	-4.20		Crippen Calculated Property
logPoct/wat	0.359		Crippen Calculated Property
McVol	95.120	ml/mol	McGowan Calculated Property
Inp	[1178.00; 1220.00]
Inp	1188.30		NIST
Inp	1187.00		NIST
Inp	1189.00		NIST
Inp	1197.00		NIST
Inp	1178.00		NIST
Inp	1178.00		NIST
Inp	1205.00		NIST
Inp	1220.00		NIST
Inp	1220.00		NIST
I	[2233.00; 2309.00]
I	2271.00		NIST
I	2295.00		NIST
I	2309.00		NIST
I	Outlier 2233.00		NIST
I	2294.00		NIST
I	2295.00		NIST
I	2271.00		NIST
I	2295.00		NIST

Similar Compounds

Find more compounds similar to 4H-Pyran-4-one, 3,5-dihydroxy-2-methyl-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.