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CAS No.: | 14918-80-0 |
---|---|
Name: | 3-formylbut-2-enyl acetate |
Article Data: | 25 |
Molecular Structure: | |
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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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