1,3-Benzenediol, 5-pentacosyl- supplier

Name
1,3-DIHYDROXY-5-PENTACOSYLBENZEN
EINECS
CAS No. 70110-61-1
Density 0.923 g/cm³
Solubility
Melting Point
Formula C₃₁H₅₆O₂
Boiling Point 572.6 °C at 760 mmHg
Molecular Weight 460.78
Flash Point 225.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Pentacosylresorcinol;5-pentacosylbenzene-1,3-diol;
PSA 40.46000
LogP 10.63250

1,3-Benzenediol, 5-pentacosyl- Specification

The 1,3-Benzenediol, 5-pentacosyl-, with the CAS registry number 70110-61-1, is also known as 5-Pentacosylresorcil. This chemical's molecular formula is C₃₁H₅₆O₂ and molecular weight is 460.78. What's more, its systematic name is 5-Pentacosylbenzene-1,3-diol.

Physical properties of 1,3-Benzenediol, 5-pentacosyl- are: (1)ACD/LogP: 13.97; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 13.97; (4)ACD/LogD (pH 7.4): 13.97; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 26; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 146.12 cm³; (15)Molar Volume: 498.7 cm³; (16)Polarizability: 57.92×10^-24cm³; (17)Surface Tension: 36.8 dyne/cm; (18)Density: 0.923 g/cm³; (19)Flash Point: 225.1 °C; (20)Enthalpy of Vaporization: 89.02 kJ/mol; (21)Boiling Point: 572.6 °C at 760 mmHg; (22)Vapour Pressure: 1.03E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O
(2)InChI: InChI=1S/C31H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-26-30(32)28-31(33)27-29/h26-28,32-33H,2-25H2,1H3
(3)InChIKey: GDJMJAKVVSGNLA-UHFFFAOYSA-N

Product Name

1,3-DIHYDROXY-5-PENTACOSYLBENZEN

1,3-Benzenediol, 5-pentacosyl- Specification

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