Ambrox

CAS	3738-00-9
Structure
Synonyms	Ambermor
IUPAC Name	3a,6,6,9a-Tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran
Molecular Weight	236.39
Canonical SMILES	CC1(CCCC2(C1CCC3(C2CCO3)C)C)C
InChI	InChI=1S/C16H28O/c1-14(2)8-5-9-15(3)12(14)6-10-16(4)13(15)7-11-17-16/h12-13H,5-11H2,1-4H3
InChI Key	YPZUZOLGGMJZJO-UHFFFAOYSA-N
Boiling Point	273.9±8.0 °C
Melting Point	75-76 °C
Flash Point	>100 °C
Purity	95%+
Density	0.939±0.06 g/cm³
Solubility	Insoluble in water
Exact Mass	236.214015512
Monoisotopic Mass	236.214015512
Physical State	Crystalline solid
Topological Polar Surface Area	9.2 Ų