Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-(Hydroxymethyl)cyclohexanone |
EINECS | N/A |
CAS No. | 38580-68-6 | Density | 1.054 g/cm3 |
PSA | 37.30000 | LogP | 0.73800 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H12O2 | Boiling Point | 239.8 °C at 760 mmHg |
Molecular Weight | 128.171 | Flash Point | 98 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-39 | Risk Codes | 37/38-41 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
4-(Hydroxymethyl)cyclohexanone; |
Article Data | 19 |
The Cyclohexanone, 4-(hydroxymethyl)- is an organic compound with the formula C7H12O2. The systematic name of this chemical is 4-(hydroxymethyl)cyclohexanone. With the CAS registry number 38580-68-6, it is also named as (4-Oxocyclohex-1-yl)methanol. The product's categories are Hydroxymethyl's; Ring Systems.
Physical properties about Cyclohexanone, 4-(hydroxymethyl)- are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 8.18; (4)ACD/KOC (pH 7.4): 8.18; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 37.3 Å2; (9)Index of Refraction: 1.472; (10)Molar Refractivity: 34.02 cm3; (11)Molar Volume: 121.5 cm3; (12)Polarizability: 13.49×10-24cm3; (13)Surface Tension: 37.5 dyne/cm; (14)Density: 1.054 g/cm3; (15)Flash Point: 98 °C; (16)Enthalpy of Vaporization: 55.4 kJ/mol; (17)Boiling Point: 239.8 °C at 760 mmHg; (18)Vapour Pressure: 0.00688 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCC(CO)CC1
(2)InChI: InChI=1/C7H12O2/c8-5-6-1-3-7(9)4-2-6/h6,8H,1-5H2
(3)InChIKey: KHMBXNKCMNGLKG-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C7H12O2/c8-5-6-1-3-7(9)4-2-6/h6,8H,1-5H2
(5)Std. InChIKey: KHMBXNKCMNGLKG-UHFFFAOYSA-N