Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Methylpentane-2,4-diol |
EINECS | 203-489-0 |
CAS No. | 5683-44-3 | Density | 0.955 g/cm3 |
PSA | 40.46000 | LogP | 0.53140 |
Solubility | H2O: 1 M at 20 °C, clear, colorless | Melting Point |
-40 °C(lit.) |
Formula | C6H14O2 | Boiling Point | 211.5 °C at 760 mmHg |
Molecular Weight | 118.176 | Flash Point | 91.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 36/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3-Methyl-2,4-pentanediol;3-Methylpentanediol-2,4;NSC 66498; |
Article Data | 21 |
Conditions | Yield |
---|---|
With sodium tetrahydroborate | 80% |
With ethanol; nickel at 70℃; under 95616 Torr; Hydrogenation; | |
With lithium aluminium tetrahydride In diethyl ether | |
With hydrogen; nickel In triethylamine |
Conditions | Yield |
---|---|
With diethyl ether |
3-hydroxy-2-methylbutanal
A
2-methyl-1,3-butanediol
B
3-methyl-2,4-pentanediol
Conditions | Yield |
---|---|
4-hydroxy-3-methyl-pentan-2-one
3-methyl-2,4-pentanediol
Conditions | Yield |
---|---|
With ethanol; nickel at 70℃; under 95616 Torr; Hydrogenation; | |
With sodium amalgam; carbonic-acid | |
With potassium hydrogencarbonate durch elektrolytische Reduktion an einer Quecksilber-Kathode; |
4-hydroxy-3-methyl-pentan-2-one
A
3-methyl-2,4-pentanediol
B
3-Methyl-2,4-pentanedione
Conditions | Yield |
---|---|
With nickel |
3-Methyl-2,4-pentanedione
A
3-methyl-2,4-pentanediol
B
4-hydroxy-3-methyl-pentan-2-one
Conditions | Yield |
---|---|
With sodium amalgam; carbon dioxide; sodium hydrogencarbonate |
4-hydroxy-3-methylpent-3-en-2-one
A
3-methyl-2,4-pentanediol
B
4-hydroxy-3-methyl-pentan-2-one
Conditions | Yield |
---|---|
With sodium amalgam; water; sodium hydrogencarbonate unter Einleiten von CO2; |
Conditions | Yield |
---|---|
With nickel |
4-hydroxy-3-methyl-pentan-2-one
3-methyl-2,4-pentanediol
Conditions | Yield |
---|---|
Kochen; |
Conditions | Yield |
---|---|
With CeO2-ZrO2 In water at 150℃; under 6750.68 Torr; for 2h; |
The CAS register number of 3-Methylpentane-2,4-diol is 5683-44-3. It also can be called as 2,4-Pentanediol,3-methyl- and the IUPAC name about this chemical is 3-methylpentane-2,4-diol. The molecular formula about this chemical is C6H14O2 and the molecular weight is 118.17.
Physical properties about 3-Methylpentane-2,4-diol are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 23.89; (4)ACD/KOC (pH 7.4): 23.89; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 18.46Å2; (9)Index of Refraction: 1.442; (10)Molar Refractivity: 32.79 cm3; (11)Molar Volume: 123.7 cm3; (12)Polarizability: 12.99x10-24cm3; (13)Surface Tension: 32.9 dyne/cm; (14)Enthalpy of Vaporization: 52.08 kJ/mol; (15)Boiling Point: 211.5 °C at 760 mmHg; (16)Vapour Pressure: 0.041 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(C)C(C)C(O)C
(2)InChI: InChI=1/C6H14O2/c1-4(5(2)7)6(3)8/h4-8H,1-3H3
(3)InChIKey: RBQLGIKHSXQZTB-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C6H14O2/c1-4(5(2)7)6(3)8/h4-8H,1-3H3
(5)Std. InChIKey: RBQLGIKHSXQZTB-UHFFFAOYSA-N