Chemical Properties of Retinol, acetate (CAS 127-47-9)

Retinol, acetate

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9+,18-14+
InChI Key
QGNJRVVDBSJHIZ-QHLGVNSISA-N
Formula
C22H32O2
SMILES
CC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
Molecular Weight1
328.49
CAS
127-47-9
Other Names
  • 3,7-Dimethyl-9-(2,6,6,-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol acetate, (all trans)-
  • Crystalets
  • Davitan A 650
  • Myvak
  • Myvax
  • NSC 122045
  • Retinol, acetate, all-trans-
  • Retinyl acetate
  • Ro 1-5275
  • Vitamin A acetate
  • Vitamin A alcohol acetate
  • Vitamin A1 acetate
  • all-trans-Retinol acetate
  • all-trans-Retinyl acetate
  • all-trans-Vitamin A acetate
  • trans-Retinol acetate
  • trans-Retinyl acetate
  • trans-Vitamin A acetate
Sources

Physical Properties

Property Value Unit Source
Δcsolid -11517.70 ± 6.00 kJ/mol NIST
Δf 233.88 kJ/mol Joback Calculated Property
Δfgas -188.51 kJ/mol Joback Calculated Property
Δfsolid -1713.00 ± 6.00 kJ/mol NIST
Δfus 39.69 kJ/mol Joback Calculated Property
Δvap 74.61 kJ/mol Joback Calculated Property
logPoct/wat 6.081 Crippen Calculated Property
Pc 1266.45 kPa Joback Calculated Property
Tboil 824.36 K Joback Calculated Property
Tc 1042.16 K Joback Calculated Property
Tfus 418.70 K Joback Calculated Property
Vc 1.131 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 896.69 J/mol×K 824.36 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Retinyl butanoate. Retinoic acid, methyl ester. Retinol. Retinyl hexanoate. Vitamin A palmitate. Retinol, hexadecanoate, 11-cis-. Retinyl decanoate. Retinyl octanoate. Retinyl dodecanoate. .beta.,.beta.-Carotene. Retinal. Retinal, 9-cis-. B-Ionene. .beta.-Ionyl acetate. 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-.

Find more compounds similar to Retinol, acetate.

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.