Chemical Properties of Retinal (CAS 116-31-4)

Retinal

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InChI
InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
InChI Key
NCYCYZXNIZJOKI-OVSJKPMPSA-N
Formula
C20H28O
SMILES
CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=O
Molecular Weight1
284.44
CAS
116-31-4
Other Names
  • 2,4,6,8-Nonatetraenal, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-
  • All-trans-Retinal
  • All-trans-Retinaldehyde
  • Axerophthal
  • E-Retinal
  • Retinal, all-trans-
  • Retinaldehyde
  • Retinene
  • Retinene 1
  • Vitamin A aldehyde
  • Vitamin A1 aldehyde
  • all-E-Retinal
  • all-trans-Vitamin A aldehyde
  • trans-Retinal
  • trans-Vitamin A aldehyde
Sources

Physical Properties

Property Value Unit Source
Δf 351.44 kJ/mol Joback Calculated Property
Δfgas 11.99 kJ/mol Joback Calculated Property
Δfus 34.01 kJ/mol Joback Calculated Property
Δvap 67.72 kJ/mol Joback Calculated Property
logPoct/wat 5.717 Crippen Calculated Property
Pc 1490.74 kPa Joback Calculated Property
Tboil 750.97 K Joback Calculated Property
Tc 972.13 K Joback Calculated Property
Tfus 366.00 K Joback Calculated Property
Vc 1.012 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 747.66 J/mol×K 750.97 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< 2
=C< (ring) 2
O=CH- (aldehyde) 1
>C< (ring) 1
-CH3 5
-CH2- (ring) 3
=CH- 6

Similar Compounds

Retinal, 9-cis-. .beta.,.beta.-Carotene. Retinol. B-Ionene. Retinoic acid, methyl ester. 2-Propenal, 3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. Retinol, acetate. «beta»-Ionone isomer # 2. trans-«beta»-Ionone. 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. 1-Penten-3-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. Allyl ionone. Retinyl butanoate. Cyclohexene, 2-ethenyl-1,3,3-trimethyl-. .alpha.-Isoamylionone.

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