CAS No.38580-68-6,4-(HYDROXYMETHYL)CYCLOHEXANONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	38580-68-6
Name:	4-(HYDROXYMETHYL)CYCLOHEXANONE
Article Data:	19

Formula:	C₇H₁₂O₂
Molecular Weight:	128.171
Synonyms:	4-(Hydroxymethyl)cyclohexanone;
Density:	1.054 g/cm³
Boiling Point:	239.8 °C at 760 mmHg
Flash Point:	98 °C
Hazard Symbols:	Xi
Risk Codes:	37/38-41
Safety:	26-39
PSA:	37.30000
LogP:	0.73800

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Specification

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