Chemical Properties of Benzofuran, 4,5,6,7-tetrahydro-3,6-dimethyl- (CAS 494-90-6)

InChI

InChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3

InChI Key

YGWKXXYGDYYFJU-UHFFFAOYSA-N

Formula

C10H14O

SMILES

Cc1coc2c1CCC(C)C2

Molecular Weight¹

150.22

CAS

494-90-6

Other Names

• (+)-menthofuran
• (R)-3,6-dimethyl-4,5,6,7-tetrahydrobenzofuran
• (R)-menthofuran
• 3,6-Dimethyl-4,5,6,7-tetrahydro-1-benzofuran
• 3,9-Epoxy-p-mentha-3,8-diene
• 4,5,6,7-Tetrahydro-3,6-dimethylbenzofuran
• Menthofuran
• Menthofurane
• p-Mentha-3,8-diene, 3,9-epoxy-

• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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	-7.36		Crippen Calculated Property
logPoct/wat	2.713		Crippen Calculated Property
McVol	127.310	ml/mol	McGowan Calculated Property
Inp	[1135.00; 1187.00]
Inp	1157.90		NIST
Inp	1147.00		NIST
Inp	1147.00		NIST
Inp	1142.00		NIST
Inp	1147.00		NIST
Inp	1165.00		NIST
Inp	1165.00		NIST
Inp	1164.00		NIST
Inp	1163.00		NIST
Inp	1169.00		NIST
Inp	1165.00		NIST
Inp	1166.00		NIST
Inp	1169.00		NIST
Inp	1175.00		NIST
Inp	1156.00		NIST
Inp	Outlier 1135.00		NIST
Inp	1163.00		NIST
Inp	Outlier 1183.00		NIST
Inp	1171.00		NIST
Inp	1146.00		NIST
Inp	1147.00		NIST
Inp	Outlier 1187.00		NIST
Inp	1164.00		NIST
Inp	1163.00		NIST
Inp	1152.00		NIST
Inp	1164.00		NIST
Inp	1164.00		NIST
Inp	1153.00		NIST
Inp	1150.00		NIST
Inp	1155.00		NIST
Inp	1150.00		NIST
Inp	1166.00		NIST
Inp	1163.00		NIST
Inp	1165.00		NIST
Inp	1169.00		NIST
I	[1458.00; 1503.00]
I	1503.00		NIST
I	1458.00		NIST
I	1487.00		NIST
I	1487.00		NIST
I	1478.00		NIST
I	1477.00		NIST
I	1483.00		NIST
I	1502.00		NIST
I	1497.00		NIST
I	1460.00		NIST
I	1487.00		NIST
I	1503.00		NIST
I	1490.00		NIST
I	1503.00		NIST
I	1458.00		NIST
I	1477.00		NIST
I	1487.00		NIST

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Benzofuran, 4,5,6,7-tetrahydro-3,6-dimethyl-.

Sources

• Crippen Method
• Crippen Method
• The vapor pressure and vaporization enthalpy of R-(+)-menthofuran, a hepatotoxin metabolically derived from the abortifacient terpene, (R)-(+)-pulegone by correlation gas chromatography
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.