Chemical Properties of 3,4-Methylenedioxyphenyl acetone (CAS 4676-39-5)

3,4-Methylenedioxyphenyl acetone

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InChI
InChI=1S/C10H10O3/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5H,4,6H2,1H3
InChI Key
XIYKRJLTYKUWAM-UHFFFAOYSA-N
Formula
C10H10O3
SMILES
CC(=O)Cc1ccc2c(c1)OCO2
Molecular Weight1
178.18
CAS
4676-39-5
Other Names
  • (1,3-Benzodioxolan-5-yl)acetone
  • (3,4-(Methylenedioxy)phenyl)-2-propanone
  • 1-(1,3-benzodioxol-5-yl)acetone
  • 1-(Acetonyl)-3,4-methylenedioxybenzene
  • 2-Propanone, (3,4-(methylenedioxy)phenyl)-
  • 2-Propanone, 1-(1,3-benzodioxol-5-yl)-
  • 2-Propanone, 1-(3,4-(methylenedioxy)phenyl)-
  • 2-Propanone, 1-[1,3-benzodioxo-5-yl]-
  • 3,4-Methylenedioxybenzyl methyl ketone
  • 5-Acetonyl-1,3-benzodioxole
  • Methyl piperonyl ketone
  • NSC 16688
Sources

Physical Properties

Property Value Unit Source
Δf -106.23 kJ/mol Joback Calculated Property
Δfgas -319.58 kJ/mol Joback Calculated Property
Δfus 29.54 kJ/mol Joback Calculated Property
Δvap 57.44 kJ/mol Joback Calculated Property
logPoct/wat 1.55 Crippen Calculated Property
Pc 3589.94 kPa Joback Calculated Property
Tboil 557.00 ± 4.00 K NIST
Tboil 557.00 ± 3.00 K NIST
Tc 813.44 K Joback Calculated Property
Tfus 379.17 K Joback Calculated Property
Vc 0.49 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 315.82 J/mol×K 584.02 Joback Calculated Property
η 0.00 Pa×s 584.02 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 2
>C=O (nonring) 1
=CH- (ring) 3
=C< (ring) 3
-CH2- 1
-CH3 1
-CH2- (ring) 1

Similar Compounds

1,3-Benzodioxole, 5-propyl-. 1,3-benzodioxole-5-propionaldehyde. 3,4-Dimethoxyphenylacetone. 2-Propanone, 1-(4-hydroxy-3-methoxyphenyl)-. 1,3-Benzodioxole-5-propanal, .alpha.-methyl-. 4-(3,4-Methylenedioxyphenyl)-2-butanone. .BETA.(3,4-methylenedioxyphenyl)propionic acid. 3,4-Methylenedioxyphenylacetic acid. 2-Hexanone, 6-(3,4-methylenedioxyphenyl). Tenamfetamine. Tenamfetamine. «alpha»-Methyl-3,4-(methylenedioxy)phenethylamine hydrochloride. 6-(benzo[d][1,3]dioxol-5-yl)hex-3-en-2-one. 2-Octanone, 8-(3,4-methylenedioxyphenyl). 2-Propanone, 1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-.

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