Guaiacol Propionate - CAS 7598-60-9

Catalog:	BB064445
Product Name:	Guaiacol Propionate
CAS:	7598-60-9
Synonyms:	2-Methoxyphenol Propanoate; o-Methoxyphenol Propionate; Propionic Acid o-Methoxyphenyl Ester; 2-Methoxyphenyl Propionate; Guaiacyl Propionate; NSC 407845; Propionyl Guaiacolate; 2-Methoxyphenol 1-Propanoate

Technical Data

IUPAC Name:	(2-methoxyphenyl) propanoate
Description:	Guaiacol Propionate is an intermediate in the synthesis of 1-(4-Hydroxy-3-methoxyphenyl)-1-propanone (H947600), which is a derivative of Guaiacol, a precursor to various flavorants, such as eugenol and vanillin.
Molecular Weight:	180.2
Molecular Formula:	C10H12O3
Canonical SMILES:	CCC(=O)OC1=CC=CC=C1OC
InChI:	InChI=1S/C10H12O3/c1-3-10(11)13-9-7-5-4-6-8(9)12-2/h4-7H,3H2,1-2H3
InChI Key:	UYXMBPVOGLUKIV-UHFFFAOYSA-N
Density:	1.092-1.102
Solubility:	Chloroform, Dichloroform, Ethyl Acetate
Appearance:	Light Yellow OIl
References:	Allen, C., et al. Org. Synth., 3, 418 (1955); Esposito, L., et al. Kirk-Othmer Encyclopedia of Chemical Technology, 4th edition, 24, 812 (1997).
Refractive Index:	1.528-1.538

Complexity:	168
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.078644241
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	180.078644241
Rotatable Bond Count:	4
Topological Polar Surface Area:	35.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9