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625-23-0

Basic Information
CAS No.: 625-23-0
Name: 2-METHYL-2-HEXANOL
Article Data: 54
Molecular Structure:
Molecular Structure of 625-23-0 (2-METHYL-2-HEXANOL)
Formula: C7H16 O
Molecular Weight: 116.203
Synonyms: 1,1-Dimethyl-1-pentanol;2-Methyl-2-hexanol; 2-Methyl-2-hydroxyhexane; Butyldimethylcarbinol; NSC 21977
Density: 0.812 g/mL at 25 °C(lit.)
Melting Point: -30.45°C (estimate)
Boiling Point: 141-142 °C(lit.)
Flash Point: 105 °F
Solubility: 9.61g/L(25 oC)
Appearance: CLEAR COLOURLESS TO LIGHT YELLOW LIQUID
Risk Codes: R10
PSA: 20.23000
LogP: 1.94750
Synthetic route
591-78-6

n-hexan-2-one

MeTiCl3

MeTiCl3

A

625-23-0

2-methylhexan-2-ol

B

4128-31-8

rac-octan-2-ol

Conditions
ConditionsYield
With heptanal; 1,2-bis-(diphenylphosphino)ethane In dichloromethane at 0℃; for 6h;A 95%
B 27%
693-04-9

butyl magnesium bromide

99051-01-1

2,3,3-trimethyl-2-butyl peroxybenzoate

A

625-23-0

2-methylhexan-2-ol

B

1009-14-9

phenyl butyl ketone

C

1855-13-6

5-phenylnonan-5-ol

D

2-Butoxy-2,3,3-trimethyl-butane

Conditions
ConditionsYield
In diethyl ether at 0℃; for 2h;A 14%
B 2%
C 9%
D 86%
111-71-7

heptanal

2747-38-8

methyltrichlorotitanium

A

625-23-0

2-methylhexan-2-ol

B

4128-31-8

rac-octan-2-ol

Conditions
ConditionsYield
With n-hexan-2-one In dichloromethane at -25℃; for 6h;A 3%
B 74%
With n-hexan-2-one; Methyltitantrichlorid,Triphenylphosphin In dichloromethane at -25℃; for 6h; Product distribution; other phosphane-complexes and reagents;A 67%
B 10%
591-78-6

n-hexan-2-one

74-88-4

methyl iodide

A

625-23-0

2-methylhexan-2-ol

B

97795-56-7

5,6-Dimethyl-decane-5,6-diol

Conditions
ConditionsYield
With Pr 1.) THF, 20 deg C, 2.) -20 deg C;A 70%
B 7%
109-65-9

1-bromo-butane

67-64-1

acetone

625-23-0

2-methylhexan-2-ol

Conditions
ConditionsYield
Stage #1: 1-bromo-butane With magnesium In tetrahydrofuran Inert atmosphere; Schlenk technique;
Stage #2: acetone In tetrahydrofuran at 0℃; Inert atmosphere; Schlenk technique;
Stage #3: With hydrogenchloride; water In tetrahydrofuran at 0℃; Inert atmosphere; Schlenk technique;
67%
With magnesium62%
(i) Mg, (ii) /BRN= 635680/; Multistep reaction;
591-78-6

n-hexan-2-one

2747-38-8

methyltrichlorotitanium

A

625-23-0

2-methylhexan-2-ol

B

4128-31-8

rac-octan-2-ol

Conditions
ConditionsYield
With heptanal; Methyltitantrichlorid,Triphenylphosphin In dichloromethane at -25℃; for 6h; Product distribution; other phosphane-complexes and reagents;A 67%
B 10%
109-72-8, 29786-93-4

n-butyllithium

99051-01-1

2,3,3-trimethyl-2-butyl peroxybenzoate

A

625-23-0

2-methylhexan-2-ol

B

1009-14-9

phenyl butyl ketone

C

1855-13-6

5-phenylnonan-5-ol

D

2-Butoxy-2,3,3-trimethyl-butane

Conditions
ConditionsYield
In hexane at 0℃; for 2h;A 30%
B 36%
C 26%
D 22%
109-72-8, 29786-93-4

n-butyllithium

99051-01-1

2,3,3-trimethyl-2-butyl peroxybenzoate

A

625-23-0

2-methylhexan-2-ol

B

594-83-2

2,3,3-trimethyl-2-butanol

C

1855-13-6

5-phenylnonan-5-ol

D

2-Butoxy-2,3,3-trimethyl-butane

Conditions
ConditionsYield
In hexane at 0℃; for 2h;A 30%
B 30%
C 26%
D 22%
85371-47-7

β,β-dibromovinyl methyl ether

67-64-1

acetone

A

625-23-0

2-methylhexan-2-ol

B

36677-85-7

4-Methoxy-2-methylbut-3-yne-2-ol

C

85371-42-2

(E)-3-Bromo-4-methoxy-2-methyl-3-buten-2-ol

D

85371-43-3

(Z)-3-Bromo-4-methoxy-2-methyl-3-buten-2-ol

Conditions
ConditionsYield
With n-butyllithium In tetrahydrofuran at -80℃;A n/a
B 15%
C n/a
D n/a
558-30-5

2-methyl-1,2-epoxypropane

4907-44-2

di-n-propylmagnesium

625-23-0

2-methylhexan-2-ol

Conditions
ConditionsYield
With diethyl ether
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