1,2-Benzenediol,3-heptadecyl- supplier

Name
3-HEPTADECYLCATECHOL
EINECS
CAS No. 5862-27-1
Article Data7
CAS DataBase
Density 0.95 g/cm³
Solubility
Melting Point 98.9℃
Formula C₂₃H₄₀O₂
Boiling Point 471.5 °C at 760 mmHg
Molecular Weight 348.569
Flash Point 199.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrocatechol,3-heptadecyl- (7CI,8CI);3-Heptadecylcatechol;
PSA 40.46000
LogP 7.51170

1,2-Benzenediol,3-heptadecyl- Specification

The 1,2-Benzenediol,3-heptadecyl- is an organic compound with the formula C₂₃H₄₀O₂. The IUPAC name of this chemical is 3-Heptadecylbenzene-1,2-diol. With the CAS registry number 5862-27-1, it is also named as Hydrolaccol. Besides, its molecular weight is 348.56.

Physical properties about 1,2-Benzenediol,3-heptadecyl- are: (1)ACD/LogP: 9.84; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.84; (4)ACD/LogD (pH 7.4): 9.84; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 5380765; (8)ACD/KOC (pH 7.4): 5353769; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 109.05 cm³; (15)Molar Volume: 366.7 cm³; (16)Polarizability: 43.23×10^-24 cm³; (17)Surface Tension: 38 dyne/cm; (18)Density: 0.95 g/cm³; (19)Flash Point: 199.1 °C; (20)Enthalpy of Vaporization: 76.23 kJ/mol; (21)Boiling Point: 471.5 °C at 760 mmHg; (22)Vapour Pressure: 1.64E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C23H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(24)23(21)25/h17,19-20,24-25H,2-16,18H2,1H3
(2)InChIKey: DXRKLUVKXMAMOV-UHFFFAOYAG
(3)Std. InChI: InChI=1S/C23H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(24)23(21)25/h17,19-20,24-25H,2-16,18H2,1H3
(4)Std. InChIKey: DXRKLUVKXMAMOV-UHFFFAOYSA-N

Product Name

3-HEPTADECYLCATECHOL

1,2-Benzenediol,3-heptadecyl- Specification

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