Isotetradecanal

CAS	75853-49-5
Structure
Synonyms	12-Methyl-1-tridecanal
IUPAC Name	12-Methyltridecanal
Molecular Weight	212.37
Canonical SMILES	CC(C)CCCCCCCCCCC=O
InChI	InChI=1S/C14H28O/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15/h13-14H,3-12H2,1-2H3
InChI Key	OQWNKUAZQSLNSR-UHFFFAOYSA-N
Boiling Point	282.23 °C
Melting Point	25 °C
Purity	95%+
Density	0.8321 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; soluble in heptane
Exact Mass	212.214015512
Monoisotopic Mass	212.214015512
Odor	Cooked or roasted aroma
Physical State	Liquid
Refractive Index	n20/D 1.4385(lit.)
Storage Conditions	Inert atmosphere,under -20 °C
Topological Polar Surface Area	17.1 Ų