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1224-78-8

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Basic Information
CAS No.: 1224-78-8
Name: anhydrovitamin A
Article Data: 13
Molecular Structure:
Molecular Structure of 1224-78-8 (anhydrovitamin A)
Formula: C20H28
Molecular Weight: 268.442
Synonyms: 1,3,5,7-Nonatetraene,3,7-dimethyl-9-(2,6,6-trimethyl-2-cyclohexen-1-ylidene)-, (all-E)- (8CI);Cyclohexene, 6-(3,7-dimethyl-2,4,6,8-nonatetraenylidene)-1,5,5-trimethyl-,(all-E)-; Cyclohexene,6-[(2E,4E,6E)-3,7-dimethyl-2,4,6,8-nonatetraenylidene]-1,5,5-trimethyl-, (6E)-(9CI); Anhydroretinol; Anhydrovitamin A; Anhydrovitamin A1; R368; R368 (vitaminanalog); Retinol, anhydro-; Vitamin A1, anhydro-; all-trans-Anhydroretinol;trans-Anhydrovitamin A
Density: 0.902g/cm3
Melting Point: 65-70°C
Boiling Point: 378.4°Cat760mmHg
Flash Point: 171.7°C
Hazard Symbols: A reproductive hazard.
Safety: Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 0.00000
LogP: 6.31390
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Chemistry

The Molecular Structure of Anhydrovitamin A (CAS NO.1224-78-8):
Molecular Formula: C20H28
Molecular Weight: 268.436320 g/mol
IUPAC: (6E)-6-[(2E,4E,6E)-3,7-dimethylnona-2,4,6,8-tetraenylidene]-1,5,5-trimethylcyclohexene
Nominal Mass: 268 Da
Average Mass: 268.4363 Da
Monoisotopic Mass: 268.219101 Da 
ACD/LogP: 7.89
ACD/LogD (pH 5.5): 7.89
ACD/LogD (pH 7.4): 7.89
ACD/BCF (pH 5.5): 581947.13
ACD/BCF (pH 7.4): 581947.13
ACD/KOC (pH 5.5): 465666.09
ACD/KOC (pH 7.4): 465666.09
Index of Refraction: 1.54
Molar Refractivity: 93.46 cm3
Molar Volume: 297.4 cm3
Surface Tension: 32.4 dyne/cm
Density: 0.902 g/cm3
Flash Point: 171.7 °C
Enthalpy of Vaporization: 60.18 kJ/mol
Boiling Point: 378.4 °C at 760 mmHg
Vapour Pressure: 1.37E-05 mmHg at 25°C 
InChI: InChI=1/C20H28/c1-7-16(2)10-8-11-17(3)13-14-19-18(4)12-9-15-20(19,5)6/h7-8,10-14H,1,9,15H2,2-6H3/b11-8+,16-10+,17-13+,19-14-
Smiles: C1CC=C(\C(=C\C=C(\C=C\C=C(\C=C)C)C)C1(C)C)C

Safety Profile

Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating vapors.

Specification

 Anhydrovitamin A (CAS NO.1224-78-8) is also called as Anhydro-retinol ; CCRIS 8528 ; Cyclohexene, 6-(3,7-dimethyl-2,4,6,8-nonatetraenylidene)-1,5,5-trimethyl-, (all-E)- .