S-(+)-2-Octyl 4-(4-hexyloxybenzoyloxy)benzoate supplier

Name
S-(+)-2-Octyl 4-(4-hexyloxybenzoyloxy)benzoate
EINECS
CAS No. 87321-20-8
Density 1.049 g/cm³
Solubility
Melting Point 47.0 to 51.0 °C
Formula C₂₈H₃₈O₅
Boiling Point 565.8 °C at 760 mmHg
Molecular Weight 454.60
Flash Point 238.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoicacid, 4-(hexyloxy)-, 4-[[(1-methylheptyl)oxy]carbonyl]phenyl ester, (S)-;(-)-S811;S 811;ZLI 0811;S-(+)-2-Octyl 4-(4-hexyloxybenzoyloxy)benzoate;
PSA 61.83000
LogP 7.38060

S-(+)-2-Octyl 4-(4-hexyloxybenzoyloxy)benzoate Specification

The cas register number of S-(+)-2-Octyl 4-(4-hexyloxybenzoyloxy)benzoate is 87321-20-8. It also can be called as (S)-4-[[(1-Methylheptyl)oxy]carbonyl]phenyl 4-(4-hexyloxy)benzoate and the Systematic name about this chemical is 4-({[(1S)-1-methylheptyl]oxy}carbonyl)phenyl 4-(hexyloxy)benzoate.

Physical properties about S-(+)-2-Octyl 4-(4-hexyloxybenzoyloxy)benzoate are: (1)ACD/LogP: 10.18; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.18; (4)ACD/LogD (pH 7.4): 10.18; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 8192894.5; (8)ACD/KOC (pH 7.4): 8192894.5; (9)#H bond acceptors: 5; (10)#Freely Rotating Bonds: 17; (11)Polar Surface Area: 61.83Å²; (12)Index of Refraction: 1.52; (13)Molar Refractivity: 131.9 cm³; (14)Molar Volume: 433.2 cm³; (15)Polarizability: 52.29x10^-24cm³; (16)Surface Tension: 38.7 dyne/cm; (17)Enthalpy of Vaporization: 84.98 kJ/mol; (18)Boiling Point: 565.8 °C at 760 mmHg; (19)Vapour Pressure: 8E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@@H](CCCCCC)OC(=O)c1ccc(cc1)OC(=O)c2ccc(OCCCCCC)cc2
(2)InChI: InChI=1/C28H38O5/c1-4-6-8-10-12-22(3)32-27(29)23-15-19-26(20-16-23)33-28(30)24-13-17-25(18-14-24)31-21-11-9-7-5-2/h13-20,22H,4-12,21H2,1-3H3/t22-/m0/s1
(3)InChIKey: PLGPDUBTEHIWRH-QFIPXVFZBP
(4)Std. InChI: InChI=1S/C28H38O5/c1-4-6-8-10-12-22(3)32-27(29)23-15-19-26(20-16-23)33-28(30)24-13-17-25(18-14-24)31-21-11-9-7-5-2/h13-20,22H,4-12,21H2,1-3H3/t22-/m0/s1
(5)Std. InChIKey: PLGPDUBTEHIWRH-QFIPXVFZSA-N

Product Name

S-(+)-2-Octyl 4-(4-hexyloxybenzoyloxy)benzoate

S-(+)-2-Octyl 4-(4-hexyloxybenzoyloxy)benzoate Specification

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