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| CAS No.: | 1706-69-0 |
|---|---|
| Name: | 2-tert-Octylbenzene-1,4-diol |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C14H22O2 |
| Molecular Weight: | 222.327 |
| Synonyms: | Hydroquinone,octyl- (6CI,7CI,8CI);2-Octyl-1,4-Benzenediol;2-Octylhydroquinone;NSC 99310; |
| EINECS: | 216-945-9 |
| Density: | 1.014 g/cm3 |
| Melting Point: | 94-94.5 °C |
| Boiling Point: | 339.5 °C at 760 mmHg |
| Flash Point: | 154.5 °C |
| PSA: | 40.46000 |
| LogP: | 3.81160 |
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Specification
The 2-tert-Octylbenzene-1,4-diol with the cas number 1706-69-0 is also called 1,4-Benzenediol,2-octyl-. The systematic name is 2-tert-Octylbenzene-1,4-diol. Its EINECS registry number is 216-945-9. The molecular formula is C14H22O2. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 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): 758.75; (6)ACD/BCF (pH 7.4): 758.27; (7)ACD/KOC (pH 5.5): 4010.28; (8)ACD/KOC (pH 7.4): 4007.74; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 66.9 cm3; (15)Molar Volume: 219 cm3; (16)Polarizability: 26.52×10-24cm3; (17)Surface Tension: 36.8 dyne/cm; (18)Enthalpy of Vaporization: 60.6 kJ/mol; (19)Vapour Pressure: 4.66E×10-5 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(O)cc1C(CC(C)(C)C)(C)C
(2)InChI: InChI=1/C14H22O2/c1-13(2,3)9-14(4,5)11-8-10(15)6-7-12(11)16/h6-8,15-16H,9H2,1-5H3
(3)InChIKey: RDMIJQCFPQDYQN-UHFFFAOYAC