Home >> Chemicals Listing >> hot product list by B  

Benzoic acid,4-[1-hydroxy-1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethyl]- (852524-20-0)

Identification
Name:Benzoic acid,4-[1-hydroxy-1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethyl]-
Synonyms:4-[1-hydroxy-1-(1,1,4,4,7-pentamethyltetralin-6-yl)ethyl]benzoic acid;Benzoic acid, 4-[1-hydroxy-1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethyl]-;
CAS:852524-20-0
Molecular Formula: C24H30O3
Molecular Weight: 366.49
InChI: InChI=1/C24H30O3/c1-15-13-19-20(23(4,5)12-11-22(19,2)3)14-18(15)24(6,27)17-9-7-16(8-10-17)21(25)26/h7-10,13-14,27H,11-12H2,1-6H3,(H,25,26)
Molecular Structure: (C24H30O3) 4-[1-hydroxy-1-(1,1,4,4,7-pentamethyltetralin-6-yl)ethyl]benzoic acid;Benzoic acid, 4-[1-hydroxy-1-(...
Properties
Density:1.090
Refractive index:1.559
Specification:

The 4-[1-Hydroxy-1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethyl]benzoic acid, with the CAS registry number 852524-20-0, has the systematic name of 4-[1-hydroxy-1-(1,1,4,4,7-pentamethyltetralin-6-yl)ethyl]benzoic acid. And the molecular formula of the chemical is C24H30O3.

The characteristics of 4-[1-Hydroxy-1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethyl]benzoic acid are as followings: (1)ACD/LogP: 6.01; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.791; (4)ACD/LogD (pH 7.4): 3.189; (5)ACD/BCF (pH 5.5): 1311.162; (6)ACD/BCF (pH 7.4): 32.799; (7)ACD/KOC (pH 5.5): 2666.515; (8)ACD/KOC (pH 7.4): 66.703; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 57.53 Å2; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 108.491 cm3; (15)Molar Volume: 336.167 cm3; (16)Polarizability: 43.009×10-24cm3; (17)Surface Tension: 42.601 dyne/cm; (18)Density: 1.09 g/cm3; (19)Flash Point: 272.655 °C; (20)Enthalpy of Vaporization: 81.426 kJ/mol; (21)Boiling Point: 503.922 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1cc2c(cc1C(C)(c3ccc(cc3)C(=O)O)O)C(CCC2(C)C)(C)C
(2)InChI: InChI=1/C24H30O3/c1-15-13-19-20(23(4,5)12-11-22(19,2)3)14-18(15)24(6,27)17-9-7-16(8-10-17)21(25)26/h7-10,13-14,27H,11-12H2,1-6H3,(H,25,26)
(3)InChIKey: QSJOZWPYZHBYNR-UHFFFAOYAL

Safety Data
 

Other Product