Guaiol

Catalog	ACM489861
CAS	489-86-1
Structure
Synonyms	2-((3S,8S)-1,2,3,4,5,6,7,8-Octahydro-3,8-dimethylazulen-5-yl)propan-2-ol
IUPAC Name	2-[(3S,5R,8S)-3,8-Dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol
Molecular Weight	222.37
Molecular Formula	C15H26O
Canonical SMILES	CC1CCC(CC2=C1CCC2C)C(C)(C)O
InChI	InChI=1S/C15H26O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+/m0/s1
InChI Key	TWVJWDMOZJXUID-SDDRHHMPSA-N
Boiling Point	132-136 °C
Melting Point	91-93 °C
Purity	90%+
Density	0.9714 g/cm³ at 20 °C(lit.)
Appearance	Powder
Exact Mass	222.198365449
Isomeric SMILES	C[C@H]1CC[C@H](CC2=C1CC[C@@H]2C)C(C)(C)O
Monoisotopic Mass	222.198365449
Physical State	Solid
Storage Conditions	2-8 °C
Topological Polar Surface Area	20.2 Ų