1,1-Dimethoxy-3,7-dimethyl-6-octadiene

CAS	7549-37-3
Structure
Synonyms	Citral dimethyl acetal
IUPAC Name	(2E)-1,1-Dimethoxy-3,7-dimethylocta-2,6-diene
Molecular Weight	198.3
Canonical SMILES	CC(=CCCC(=CC(OC)OC)C)C
InChI	InChI=1S/C12H22O2/c1-10(2)7-6-8-11(3)9-12(13-4)14-5/h7,9,12H,6,8H2,1-5H3/b11-9+
InChI Key	ZSKAJFSSXURRGL-PKNBQFBNSA-N
Boiling Point	105-106 °C
Flash Point	180 °F
Purity	95%
Density	0.89 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; soluble in organic solvents, oils
Exact Mass	198.16197994
Isomeric SMILES	CC(=CCC/C(=C/C(OC)OC)/C)C
Monoisotopic Mass	198.16197994
Physical State	Liquid
Refractive Index	n20/D 1.454(lit.)
Topological Polar Surface Area	18.5 Ų