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| CAS No.: | 74193-14-9 |
|---|---|
| Name: | 7,8-didehydroretinoic acid |
| Molecular Structure: | |
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| Formula: | C20H26O2 |
| Molecular Weight: | 298.46 |
| Synonyms: | 7,8-Dehydroretinoic acid;Retinoic acid,7,8-didehydro;7,8-Didehydroretinoic acid; |
| Density: | 1.03g/cm3 |
| Boiling Point: | 436.6°Cat760mmHg |
| Flash Point: | 207.6°C |
| Safety: | An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes. |
| PSA: | 37.30000 |
| LogP: | 5.04980 |
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Chemistry
IUPAC Name: (2E,4E,6E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6-trien-8-ynoic acid
Synonyms of 7,8-Didehydroretinoic acid (CAS NO.74193-14-9): 7,8-Dehydroretinoic acid ; trans-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-7-yne-2,4,6-nonatrienoic acid ; Retinoic acid, 7,8-didehydro-
CAS NO: 74193-14-9
Molecular Formula: C20H26O2
Molecular Weight: 298.4192
Molecular Structure : .png)
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 26.3 Å2
Index of Refraction: 1.541
Molar Refractivity: 91 cm3
Molar Volume: 289.5 cm3
Surface Tension: 41 dyne/cm
Density: 1.03 g/cm3
Flash Point: 207.6 °C
Enthalpy of Vaporization: 76 kJ/mol
Boiling Point: 436.6 °C at 760 mmHg
Vapour Pressure: 7.61E-09 mmHg at 25°C
InChI: InChI=1/C20H26O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,15-8+,16-14+
InChIKey: PZGWJKNRUMKVBF-SNQZJYSLBW
Std. InChI: InChI=1S/C20H26O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,15-8+,16-14+
Std. InChIKey: PZGWJKNRUMKVBF-SNQZJYSLSA-N
Safety Profile
An experimental teratogen. Experimental reproductive effects. When 7,8-Didehydroretinoic acid (CAS NO.74193-14-9) is heated to decomposition, it emits acrid smoke and irritating fumes.