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CAS No.: | 28450-02-4 |
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Name: | Ethanone, 1-(3,4-dihydro-6-methyl-2H-pyran-2-yl)- |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C8H12O2 |
Molecular Weight: | 140.182 |
Synonyms: | Ketone,3,4-dihydro-6-methyl-2H-pyran-2-yl methyl (6CI,7CI,8CI);2-Acetyl-3,4-dihydro-6-methyl-2H-pyran;2-Acetyl-6-methyl-2,3-dihydro-4H-pyran; |
Density: | 1.001 g/cm3 |
Boiling Point: | 217.9 °C at 760 mmHg |
Flash Point: | 86.8 °C |
PSA: | 26.30000 |
LogP: | 1.65820 |
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The Ethanone,1-(3,4-dihydro-6-methyl-2H-pyran-2-yl)-, with the CAS registry number 28450-02-4, is also known as 2-Acetyl-6-methyl-2,3-dihydro-4H-pyran. This chemical's molecular formula is C8H12O2 and molecular weight is 140.1797. What's more, its IUPAC name is called 1-(3,4-Dimethoxyphenyl)-2-(methylamino)ethanone.
Physical properties about Ethanone,1-(3,4-dihydro-6-methyl-2H-pyran-2-yl)- are: (1)ACD/LogP: 0.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.43; (4)ACD/LogD (pH 7.4): 0.43; (5)ACD/BCF (pH 5.5): 1.25; (6)ACD/BCF (pH 7.4): 1.25; (7)ACD/KOC (pH 5.5): 40.91; (8)ACD/KOC (pH 7.4): 40.91; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 38.17 cm3; (15)Molar Volume: 140 cm3; (16)Surface Tension: 30.1 dyne/cm; (17)Density: 1.001 g/cm3; (18)Flash Point: 86.8 °C; (19)Enthalpy of Vaporization: 45.43 kJ/mol; (20)Boiling Point: 217.9 °C at 760 mmHg; (21)Vapour Pressure: 0.13 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(C1O\C(=C/CC1)C)C
(2) InChI: InChI=1/C8H12O2/c1-6-4-3-5-8(10-6)7(2)9/h4,8H,3,5H2,1-2H3
(3) InChIKey: QIYRGBNUCNZLNY-UHFFFAOYAI