Ethyl tiglate

Catalog	ACM5837785
CAS	5837-78-5
Structure
Synonyms	Tiglic acid, ethyl ester
IUPAC Name	Ethyl (E)-2-methylbut-2-enoate
Molecular Weight	128.17
Molecular Formula	C7H12O2
Canonical SMILES	CCOC(=O)C(=CC)C
InChI	InChI=1S/C7H12O2/c1-4-6(3)7(8)9-5-2/h4H,5H2,1-3H3/b6-4+
InChI Key	OAPHLAAOJMTMLY-GQCTYLIASA-N
Boiling Point	154-156 °C
Melting Point	−62.68 °C
Flash Point	112 °F
Purity	98%+
Density	0.923 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; soluble in oils
Exact Mass	128.083729621
Isomeric SMILES	CCOC(=O)/C(=C/C)/C
Monoisotopic Mass	128.083729621
Odor	Warm-ethereal fruity aroma
Physical State	Liquid
Refractive Index	n20/D 1.435(lit.)
Topological Polar Surface Area	26.3 Ų