Chemical Properties of Butanoic acid, 2-furanylmethyl ester (CAS 623-21-2)

InChI

InChI=1S/C9H12O3/c1-2-4-9(10)12-7-8-5-3-6-11-8/h3,5-6H,2,4,7H2,1H3

InChI Key

IXISGRHWGVGCAK-UHFFFAOYSA-N

Formula

C9H12O3

SMILES

CCCC(=O)OCc1ccco1

Molecular Weight¹

168.19

CAS

623-21-2

Other Names

• Butyric acid, furfuryl ester
• Furfuryl butyrate
• Furfuryl n-butyrate
• 2-Furfuryl butyrate
• 2-Furfuryl n-butyrate
• Furfuryl butanoate

• 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	-6.62		Crippen Calculated Property
logPoct/wat	2.123		Crippen Calculated Property
McVol	131.520	ml/mol	McGowan Calculated Property
Inp	[1148.00; 1171.00]
Inp	1171.00		NIST
Inp	1148.00		NIST
I	[1649.00; 1665.00]
I	1649.00		NIST
I	1655.00		NIST
I	1665.00		NIST
I	1649.00		NIST

Similar Compounds

Find more compounds similar to Butanoic acid, 2-furanylmethyl ester.

Sources

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

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