Alpha-Angelica Lactone

Catalog	ACM591128
CAS	591-12-8
Structure
Synonyms	4-Hydroxypent-3-enoic acid lactone
IUPAC Name	5-Methyl-3H-furan-2-one
Molecular Weight	98.1
Molecular Formula	C5H6O2
Canonical SMILES	CC1=CCC(=O)O1
InChI	InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2H,3H2,1H3
InChI Key	QOTQFLOTGBBMEX-UHFFFAOYSA-N
Boiling Point	55-56 °C
Melting Point	13-17 °C
Flash Point	155 °F
Purity	98%+
Density	1.092 g/mL at 25 °C(lit.)
Appearance	Liquid
Exact Mass	98.03677943
Monoisotopic Mass	98.03677943
Physical State	Liquid
Refractive Index	n20/D 1.448(lit.)
Storage Conditions	2-8 °C
Topological Polar Surface Area	26.3 Ų