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1,4-Benzenediol,2-octyl- (1706-69-0)

Identification
Name:1,4-Benzenediol,2-octyl-
Synonyms:Hydroquinone,octyl- (6CI,7CI,8CI);2-Octyl-1,4-Benzenediol;2-Octylhydroquinone;NSC 99310;
CAS:1706-69-0
EINECS: 216-945-9
Molecular Formula: C14H22O2
Molecular Weight: 222.32
InChI: InChI=1/C14H22O2/c1-2-3-4-5-6-7-8-12-11-13(15)9-10-14(12)16/h9-11,15-16H,2-8H2,1H3
Molecular Structure: (C14H22O2) Hydroquinone,octyl- (6CI,7CI,8CI);2-Octyl-1,4-Benzenediol;2-Octylhydroquinone;NSC 99310;
Properties
Flash Point: 171.6 ºC
Density:1.019 g/cm3
Refractive index:1.529
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

Flash Point: 171.6 ºC
Safety Data
 

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