3-Methylpentane-2,4-diol supplier

Name
HEXYLENE GLYCOL
EINECS 203-489-0
CAS No. 5683-44-3
Article Data21
CAS DataBase
Density 0.955 g/cm³
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
Appearance
Safety 26-36
Risk Codes 36/38
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Methyl-2,4-pentanediol;3-Methylpentanediol-2,4;NSC 66498;
PSA 40.46000
LogP 0.53140

Synthetic route

: 815-57-6
3-Methyl-2,4-pentanedione

: 5683-44-3
3-methyl-2,4-pentanediol

Conditions

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

: 917-64-6
methyl magnesium iodide

: 99506-67-9
3-hydroxy-2-methylbutanal

: 5683-44-3
3-methyl-2,4-pentanediol

Conditions

Conditions	Yield
With diethyl ether

: 99506-67-9
3-hydroxy-2-methylbutanal

: methylmagnesium iodide

A: 684-84-4
2-methyl-1,3-butanediol

B: 5683-44-3
3-methyl-2,4-pentanediol

Conditions

Conditions	Yield

...Expand

: 53496-45-0, 53538-95-7, 114764-52-2, 114789-63-8, 115936-19-1, 116660-75-4, 565-79-7
4-hydroxy-3-methyl-pentan-2-one

: 5683-44-3
3-methyl-2,4-pentanediol

Conditions

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;

: 53496-45-0, 53538-95-7, 114764-52-2, 114789-63-8, 115936-19-1, 116660-75-4, 565-79-7
4-hydroxy-3-methyl-pentan-2-one

A: 5683-44-3
3-methyl-2,4-pentanediol

B: 815-57-6
3-Methyl-2,4-pentanedione

Conditions

Conditions	Yield
With nickel

: 815-57-6
3-Methyl-2,4-pentanedione

A: 5683-44-3
3-methyl-2,4-pentanediol

B: 53496-45-0, 53538-95-7, 114764-52-2, 114789-63-8, 115936-19-1, 116660-75-4, 565-79-7
4-hydroxy-3-methyl-pentan-2-one

Conditions

Conditions	Yield
With sodium amalgam; carbon dioxide; sodium hydrogencarbonate

: 1522-25-4
4-hydroxy-3-methylpent-3-en-2-one

A: 5683-44-3
3-methyl-2,4-pentanediol

B: 53496-45-0, 53538-95-7, 114764-52-2, 114789-63-8, 115936-19-1, 116660-75-4, 565-79-7
4-hydroxy-3-methyl-pentan-2-one

Conditions

Conditions	Yield
With sodium amalgam; water; sodium hydrogencarbonate unter Einleiten von CO2;

3-methyl-pentanol-(2)-one-(4): 3-methyl-pentanol-(2)-one-(4)

A: 5683-44-3
3-methyl-2,4-pentanediol

B: 1522-25-4
4-hydroxy-3-methylpent-3-en-2-one

Conditions

Conditions	Yield
With nickel

: 53496-45-0, 53538-95-7, 114764-52-2, 114789-63-8, 115936-19-1, 116660-75-4, 565-79-7
4-hydroxy-3-methyl-pentan-2-one

Raney nickel: Raney nickel

: 5683-44-3
3-methyl-2,4-pentanediol

Conditions

Conditions	Yield
Kochen;

: 50-00-0
formaldehyd

: 513-35-9
2-methyl-but-2-ene

: 5683-44-3
3-methyl-2,4-pentanediol

Conditions

Conditions	Yield
With CeO2-ZrO2 In water at 150℃; under 6750.68 Torr; for 2h;

: 5683-44-3
3-methyl-2,4-pentanediol

: 64923-73-5, 134234-53-0, 134234-54-1
2,4-Di(methylsulphonyl)-3-methylpentane

Conditions

Conditions	Yield
	85%

: 5683-44-3
3-methyl-2,4-pentanediol

: 543-20-4
succinoyl dichloride

: 2,3,4-trimethyl-1,5-dioxacyclononan-6,9-dione

Conditions

Conditions	Yield
With potassium chloride; triethylamine In acetonitrile at 20℃; for 12h; Inert atmosphere; Reflux;	40%

: 5683-44-3
3-methyl-2,4-pentanediol

: 88-95-9
Phthaloyl dichloride

: 2,3,4-trimethyl-7,8-benzo[g]-1,5-dioxacyclononan-6,9-dione

Conditions

Conditions	Yield
With potassium carbonate; triethylamine In tetrahydrofuran at 20℃; for 12h; Reflux; Inert atmosphere;	34%

: 5683-44-3
3-methyl-2,4-pentanediol

: 10138-59-7
diethyl 1,2-cyclohexanedicarboxylate

: C14H22O4

Conditions

Conditions	Yield
With potassium chloride; triethylamine In tetrahydrofuran at 20℃; for 16h; Inert atmosphere; Reflux;	33%

: 5683-44-3
3-methyl-2,4-pentanediol

: 28457-09-2, 40814-60-6, 40814-61-7
2,4-dibromo-3-methyl-pentane

Conditions

Conditions	Yield
With dichloromethane; phosphorus tribromide
With phosphorus tribromide; pentane
With hydrogen bromide at 110℃;

3-Methylpentane-2,4-diol Specification

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

Product Name

HEXYLENE GLYCOL

Synthetic route

3-Methylpentane-2,4-diol Specification

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