3-Formylbut-2-enyl acetate supplier

Name
3-formylbut-2-enyl acetate
EINECS 238-989-8
CAS No. 14918-80-0
Article Data25
CAS DataBase
Density 1.027 g/cm³
Solubility
Melting Point 50-55 °C
Formula C₇H₁₀O₃
Boiling Point 232.6 °C at 760 mmHg
Molecular Weight 142.155
Flash Point 96.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 43.37000
LogP 0.69470

3-Formylbut-2-enyl acetate 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 C₇H₁₀O₃and 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

Product Name

3-formylbut-2-enyl acetate

3-Formylbut-2-enyl acetate Specification

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