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| CAS No.: | 41199-19-3 |
|---|---|
| Name: | 1,2,3,4,4a,5,6,7-Octahydro-2,5,5-trimethyl-2-naphthol |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C13H22O |
| Molecular Weight: | 194.317 |
| Synonyms: | 1,2,3,4,4a,5,6,7-Octahydro-2,5,5-trimethyl-2-naphthol;Ambrinol; |
| EINECS: | 255-256-8 |
| Density: | 0.98 g/cm3 |
| Boiling Point: | 280.1 °C at 760 mmHg |
| Flash Point: | 114.7 °C |
| Solubility: | in alcohol |
| Appearance: | colorless to pale yellow clear liquid |
| PSA: | 20.23000 |
| LogP: | 3.28390 |
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Specification
The 1,2,3,4,4a,5,6,7-Octahydro-2,5,5-trimethyl-2-naphthol with cas registry number of 41199-19-3, whose systematic name is 2,5,5-trimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-ol. And it is also named 2-naphthalenol, 1,2,3,4,4a,5,6,7-octahydro-2,5,5-trimethyl-. Its system generated number is 0041199193.
Physical properties about this chemical are: (1)ACD/LogP: 4.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.09; (4)ACD/LogD (pH 7.4): 4.09; (5)ACD/BCF (pH 5.5): 759.84; (6)ACD/BCF (pH 7.4): 759.84; (7)ACD/KOC (pH 5.5): 4014.42; (8)ACD/KOC (pH 7.4): 4014.42; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 59.36 cm3; (15)Molar Volume: 197.8 cm3; (16)Polarizability: 23.53×10-24cm3; (17)Surface Tension: 35.5 dyne/cm; (18)Enthalpy of Vaporization: 60.23 kJ/mol; (19)Vapour Pressure: 0.000463 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:OC2(CCC1/C(=C\CCC1(C)C)C2)C;
(2)InChI:InChI=1/C13H22O/c1-12(2)7-4-5-10-9-13(3,14)8-6-11(10)12/h5,11,14H,4,6-9H2,1-3H3;
(3)InChIKey:GPVOTKFXWGURGP-UHFFFAOYAA;
(4)Std. InChI:InChI=1S/C13H22O/c1-12(2)7-4-5-10-9-13(3,14)8-6-11(10)12/h5,11,14H,4,6-9H2,1-3H3;
(5)Std. InChIKey:GPVOTKFXWGURGP-UHFFFAOYSA-N