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Name |
1,4-Cyclohexadiene,1-methoxy-5-methyl- |
EINECS | 237-218-2 |
CAS No. | 13697-84-2 | Density | 0.92 g/cm3 |
PSA | 9.23000 | LogP | 2.25680 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H12O | Boiling Point | 186.9 °C at 760 mmHg |
Molecular Weight | 124.183 | Flash Point | 58.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Ether,methyl 5-methyl-1,4-cyclohexadien-1-yl (7CI,8CI);1-Methoxy-5-methyl-1,4-cyclohexadiene;2-Methyl-4-methoxy-1,4-cyclohexadiene; |
Article Data | 21 |
The 1,4-Cyclohexadiene,1-methoxy-5-methyl- is an organic compound with the formula C8H12O. The IUPAC name of this chemical is 1-Methoxy-5-methylcyclohexa-1,4-diene. With the CAS registry number 13697-84-2, it is also named as Methyl 5-methylcyclohexa-1,4-dien-1-yl ether. Besides, its molecular weight is 124.18.
The physical properties of 1,4-Cyclohexadiene,1-methoxy-5-methyl- are: (1)ACD/LogP: 2.29; (2)ACD/LogD (pH 5.5): 2.29; (3)ACD/LogD (pH 7.4): 2.29; (4)ACD/BCF (pH 5.5): 32.52; (5)ACD/BCF (pH 7.4): 32.52; (6)ACD/KOC (pH 5.5): 420.71; (7)ACD/KOC (pH 7.4): 420.71; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 9.23 Å2; (11)Index of Refraction: 1.477; (12)Molar Refractivity: 38.14 cm3; (13)Molar Volume: 134.7 cm3; (14)Polarizability: 15.12×10-24 cm3; (15)Surface Tension: 27.6 dyne/cm; (16)Density: 0.92 g/cm3; (17)Flash Point: 58.5 °C; (18)Enthalpy of Vaporization: 40.58 kJ/mol; (19)Boiling Point: 186.9 °C at 760 mmHg; (20)Vapour Pressure: 0.889 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(/C1=C/C/C=C(/C)C1)C
(2)InChI: InChI=1/C8H12O/c1-7-4-3-5-8(6-7)9-2/h4-5H,3,6H2,1-2H3
(3)InChIKey: JHXCCDQIOYRZIM-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C8H12O/c1-7-4-3-5-8(6-7)9-2/h4-5H,3,6H2,1-2H3
(5)Std. InChIKey: JHXCCDQIOYRZIM-UHFFFAOYSA-N