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Basic Information
CAS No.: 14918-80-0
Name: 3-formylbut-2-enyl acetate
Molecular Structure:
Molecular Structure of 14918-80-0 (3-formylbut-2-enyl acetate)
Formula: C7H10O3
Molecular Weight: 142.155
Synonyms: Crotonaldehyde,4-hydroxy-2-methyl-, acetate (7CI,8CI);1-Acetoxy-3-methyl-2-buten-4-al;3-Formylcrotyl acetate;3-Methyl-4-oxo-2-butenyl acetate;4-Acetoxy-2-formyl-2-butene;4-Acetoxy-2-methyl-2-butenal;4-Acetoxy-2-methylcrotonaldehyde;
EINECS: 238-989-8
Density: 1.027 g/cm3
Melting Point: 50-55 °C
Boiling Point: 232.6 °C at 760 mmHg
Flash Point: 96.5 °C
PSA: 43.37000
LogP: 0.69470
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Specification

The CAS register number of 3-Formylbut-2-enyl acetate is 14918-80-0. It also can be called as 2-Butenal,4-(acetyloxy)-2-methyl- and the systematic name about this chemical is 3-methyl-4-oxobut-2-en-1-yl acetate. The molecular formula about this chemical is C7H10O3 and molecular weight is 142.15.

Physical properties about 3-Formylbut-2-enyl acetate are: (1)ACD/LogP: 0.75; (2)ACD/LogD (pH 5.5): 0.75; (3)ACD/LogD (pH 7.4): 0.75; (4)ACD/BCF (pH 5.5): 2.2; (5)ACD/BCF (pH 7.4): 2.2; (6)ACD/KOC (pH 5.5): 61.12; (7)ACD/KOC (pH 7.4): 61.12; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 43.37Å2; (11)Index of Refraction: 1.438; (12)Molar Refractivity: 36.34 cm3; (13)Molar Volume: 138.2 cm3; (14)Polarizability: 14.4x10-24cm3; (15)Surface Tension: 31.5 dyne/cm; (16)Enthalpy of Vaporization: 46.93 kJ/mol; (17)Boiling Point: 232.6 °C at 760 mmHg; (18)Vapour Pressure: 0.0586 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CC(=CCOC(=O)C)C
(2)InChI: InChI=1/C7H10O3/c1-6(5-8)3-4-10-7(2)9/h3,5H,4H2,1-2H3
(3)InChIKey: LPDDKAJRWGPGSI-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C7H10O3/c1-6(5-8)3-4-10-7(2)9/h3,5H,4H2,1-2H3
(5)Std. InChIKey: LPDDKAJRWGPGSI-UHFFFAOYSA-N