Onion oil

CAS	8002-72-0
Synonyms	Methyl D-isoleucinate hydrochloride
IUPAC Name	Methyl (2R,3R)-2-amino-3-methylpentanoate;hydrochloride
Molecular Weight	181.66
Canonical SMILES	CCC(C)C(C(=O)OC)N.Cl
InChI	InChI=1S/C7H15NO2.ClH/c1-4-5(2)6(8)7(9)10-3;/h5-6H,4,8H2,1-3H3;1H/t5-,6-;/m1./s1
InChI Key	GGTBEWGOPAFTTH-KGZKBUQUSA-N
Boiling Point	164 °C
Flash Point	178 °F
Purity	99%
Density	1.07 g/mL at 25 °C(lit.)
Exact Mass	181.0869564
Isomeric SMILES	CC[C@@H](C)[C@H](C(=O)OC)N.Cl
Monoisotopic Mass	181.0869564
Physical State	Liquid
Refractive Index	n20/D 1.5534(lit.)
Storage Conditions	Dry place
Topological Polar Surface Area	52.3 Ų