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Cas Database |
| Name |
2-Buten-1-ol,4,4-dimethoxy-3-methyl-, 1-acetate |
EINECS | 277-919-0 |
| CAS No. | 74549-14-7 | Density | 1.006 g/cm3 |
| PSA | 44.76000 | LogP | 1.11470 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C9H16O4 | Boiling Point | 229.6 °C at 760 mmHg |
| Molecular Weight | 188.224 | Flash Point | 91.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Buten-1-ol,4,4-dimethoxy-3-methyl-, acetate (9CI); |
Article Data | 1 |
2-Buten-1-ol,4,4-dimethoxy-3-methyl-, 1-acetate Specification
The 2-Buten-1-ol,4,4-dimethoxy-3-methyl-, 1-acetate, with the CAS registry number 74549-14-7, is also known as 4,4-Dimethoxy-3-methyl-2-butenyl acetate. Its EINECS registry number is 277-919-0. This chemical's molecular formula is C9H16O4 and molecular weight is 188.22094. Its systematic name is called (4,4-dimethoxy-3-methyl-but-2-enyl) acetate.
Physical properties of 2-Buten-1-ol,4,4-dimethoxy-3-methyl-, 1-acetate: (1)ACD/LogP: 1.49; (2)ACD/LogD (pH 5.5): 1.49; (3)ACD/LogD (pH 7.4): 1.49; (4)#H bond acceptors: 4; (5)#Freely Rotating Bonds: 6; (6)Index of Refraction: 1.435; (7)Molar Refractivity: 48.86 cm3; (8)Molar Volume: 187 cm3; (9)Surface Tension: 29.2 dyne/cm; (10)Density: 1.006 g/cm3; (11)Flash Point: 91.4 °C; (12)Enthalpy of Vaporization: 46.62 kJ/mol; (13)Boiling Point: 229.6 °C at 760 mmHg; (14)Vapour Pressure: 0.0689 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(OC)C(C)=CCOC(C)=O
(2)InChI: InChI=1/C9H16O4/c1-7(9(11-3)12-4)5-6-13-8(2)10/h5,9H,6H2,1-4H3
(3)InChIKey: OHFDXHXDNYMPBW-UHFFFAOYAJ
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