Guaiyl butyrate

2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-yl butanoate

Also Known As: Guaiyl butyrate|Guaiol butyrate|2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-yl butanoate|Butanoic acid, 1-methyl-1-((3S,5R,8S)-1,2,3,4,5,6,7,8-octahydro-3,8-dimethyl-5-azulenyl)ethyl ester|Butanoic acid, 1-methyl-1-[(3S,5R,8S)-1,2,3,4,5,6,7,8-octahydro-3,8-dimethyl-5-azulenyl]ethyl ester|(3S)-1,2,3,4,5,6,7,8-Octahydro-alpha,alpha,3alpha,8alpha-tetramethyl-5alpha-azulenemethanol butanoate|(3S-(3alpha,5alpha,8alpha))-1-Methyl-1-(1,2,3,4,5,6,7,8-octahydro-3,8-dimethylazulen-5-yl)ethyl butyrate|[3S-(3alpha,5alpha,8alpha)]-1-methyl-1-(1,2,3,4,5,6,7,8-octahydro-3,8-dimethylazulen-5-yl)ethyl butyrate|2-((3S,5R,8S)-3,8- DIMETHYL-1,2,3,4,5,6,7,8-OCTAHYDROAZULEN-5-YL) PROPAN-2-YL BUTANOATE|Butanoic acid, 1-methyl-1-(1,2,3,4,5,6,7,8-octahydro-3,8-dimethyl-5-azulenyl)ethyl ester, [3S-(3.alpha.,5.alpha.,8.alpha.)]-

Molecular Formula	C19H32O2
Molecular Weight	292.24023 g/mol
LogP	4.5
Topological Polar Surface Area	26.3 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	2
Rotatable Bonds	5
Exact Mass	292.24023
Monoisotopic Mass	292.24023
Heavy Atoms	21
Complexity	419.0

Chemical Identifiers

CAS Number	73003-91-5
SMILES	CCCC(=O)OC(C)(C)[C@@H]1CC[C@@H](C2=C(C1)[C@H](CC2)C)C
InChIKey	FZRQHSNXHSRRMX-SOUVJXGZSA-N