CAS No.10457-66-6,Geroquinol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	10457-66-6
Name:	Geroquinol
Article Data:	12

Formula:	C₁₆H₂₂O₂
Molecular Weight:	246.349
Synonyms:	1,4-Benzenediol,2-(3,7-dimethyl-2,6-octadienyl)-, (E)-;1,4-Benzenediol,2-[(2E)-3,7-dimethyl-2,6-octadienyl]- (9CI);Hydroquinone,(3,7-dimethyl-2,6-octadienyl)-, (E)- (8CI);Hydroquinone, geranyl- (6CI);Geranyl-1,4-benzenediol;Geranylhydroquinone;Geroquinol;
Density:	1.035 g/cm³
Melting Point:	61-62°, H. Inouye et al., Ber. 101, 4057 (1968)
Boiling Point:	413.1 °C at 760 mmHg
Flash Point:	192.4 °C
PSA:	40.46000
LogP:	4.33300

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Specification

This chemical is called Geroquinol, and its systematic name is 2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]benzene-1,4-diol. With the molecular formula of C₁₆H₂₂O₂, its molecular weight is 246.35. The CAS registry number of this chemical is 10457-66-6.

Other characteristics of the Geroquinol can be summarised as followings: (1)ACD/LogP: 4.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.77; (4)ACD/LogD (pH 7.4): 4.77; (5)ACD/BCF (pH 5.5): 2493.74; (6)ACD/BCF (pH 7.4): 2491.53; (7)ACD/KOC (pH 5.5): 9398.55; (8)ACD/KOC (pH 7.4): 9390.19; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 40.46 Å²; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 76.42 cm³; (15)Molar Volume: 237.9 cm³; (16)Polarizability: 30.29×10^-24cm³; (17)Surface Tension: 40.1 dyne/cm; (18)Density: 1.035 g/cm³; (19)Flash Point: 192.4 °C; (20)Enthalpy of Vaporization: 69.17 kJ/mol; (21)Boiling Point: 413.1 °C at 760 mmHg; (22)Vapour Pressure: 2.06E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Oc1ccc(O)cc1C\C=C(/C)CC\C=C(/C)C
2.InChI: InChI=1/C16H22O2/c1-12(2)5-4-6-13(3)7-8-14-11-15(17)9-10-16(14)18/h5,7,9-11,17-18H,4,6,8H2,1-3H3/b13-7+
3.InChIKey: ZSCRTFONTNMQBL-NTUHNPAUBI