Structure

Ethyl tiglate

CAS
5837-78-5
Catalog Number
ACM5837785
Category
Other Products
Molecular Weight
128.17
Molecular Formula
C7H12O2

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Specification

Synonyms
Tiglic acid, ethyl ester
IUPAC Name
Ethyl (E)-2-methylbut-2-enoate
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
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
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