Tiglic Acid

Catalog	ACM80591
CAS	80-59-1
Structure
Synonyms	Cevadic acid
IUPAC Name	(E)-2-Methylbut-2-enoic acid
Molecular Weight	100.12
Molecular Formula	C5H8O2
Canonical SMILES	CC=C(C)C(=O)O
InChI	InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+
InChI Key	UIERETOOQGIECD-ONEGZZNKSA-N
Boiling Point	95-96 °C
Melting Point	61-64 °C
Flash Point	101 °C
Purity	98%+
Density	0.969 g/mL at 25 °C(lit.)
Solubility	Slightly soluble in water; insoluble in oils
Exact Mass	100.052429494
Isomeric SMILES	C/C=C(\C)/C(=O)O
Monoisotopic Mass	100.052429494
Physical State	Crystalline powder and chunks
Storage Conditions	2-8 °C
Topological Polar Surface Area	37.3 Ų