Guaiacol carbonate supplier

Name
Guaiacol carbonate
EINECS 209-034-2
CAS No. 553-17-3
Article Data9
CAS DataBase
Density 1.208 g/cm³
Solubility
Melting Point 88°C
Formula C₁₅H₁₄O₅
Boiling Point 392.6 °C at 760 mmHg
Molecular Weight 274.273
Flash Point 173.7 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Carbonicacid, bis(o-methoxyphenyl) ester (7CI,8CI);Guaiacol carbonate (6CI);Phenol,o-methoxy-, carbonate (8CI);Bis(2-methoxyphenyl) carbonate;Bis-o-methoxyphenyl carbonate;Carbonic acid bis(2-methoxyphenyl) ester;Carbonic acid guiacol ether;Di-o-methoxyphenyl carbonate;Diguaiacylcarbonate;Duotal;Guaiacol carbonic acid neutral ester;NSC 37138;NSC 3798;Tussophob;
PSA 53.99000
LogP 3.28160

Guaiacol carbonate Specification

The Guaiacol carbonate with the CAS number 553-17-3 is also called Phenol, 2-methoxy-,carbonate (2:1). Both the systematic name and IUPAC name are bis(2-methoxyphenyl) carbonate. Its EINECS registry number is 209-034-2. The molecular formula is C₁₅H₁₄O₅.

The properties of the chemical are: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.41; (4)ACD/LogD (pH 7.4): 2.41; (5)ACD/BCF (pH 5.5): 39.87; (6)ACD/BCF (pH 7.4): 39.87; (7)ACD/KOC (pH 5.5): 486.8; (8)ACD/KOC (pH 7.4): 486.8; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 53.99 Å²; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 72.56 cm³; (15)Molar Volume: 226.9 cm³; (16)Polarizability: 28.76×10^-24cm³; (17)Surface Tension: 41 dyne/cm; (18)Enthalpy of Vaporization: 64.23 kJ/mol; (19)Vapour Pressure: 2.27×10^-6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1ccccc1OC)Oc2ccccc2OC
(2)InChI: InChI=1/C15H14O5/c1-17-11-7-3-5-9-13(11)19-15(16)20-14-10-6-4-8-12(14)18-2/h3-10H,1-2H3
(3)InChIKey: ORUJFMPWKPVXLZ-UHFFFAOYAQ

Product Name

Guaiacol carbonate

Guaiacol carbonate Specification

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