Product Name

Synthetic route

3-methylglutaric anhydride
4166-53-4

3-methylglutaric anhydride

3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

Conditions
ConditionsYield
With lithium aluminium tetrahydride In tetrahydrofuran for 4h; Heating;100%
With lithium aluminium tetrahydride In tetrahydrofuran for 4h; Heating;68%
With lithium aluminium tetrahydride In tetrahydrofuran at 20℃; for 2h; Reduction;44%
With lithium aluminium tetrahydride In tetrahydrofuran; diethyl ether for 6.5h; Heating;33%
With lithium aluminium tetrahydride In tetrahydrofuran
4-Methyl-3,4,5,6-tetrahydro-2H-pyran-2-ol
18653-57-1

4-Methyl-3,4,5,6-tetrahydro-2H-pyran-2-ol

3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

Conditions
ConditionsYield
With water; hydrogen; sodium hydroxide at 120℃; under 6000.6 Torr; for 6h; Reagent/catalyst;95%
With hydrogen; sodium hydroxide In water at 120℃; under 6000.6 Torr; for 7h;
3-methyl glutaric acid
626-51-7

3-methyl glutaric acid

3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

Conditions
ConditionsYield
With borane-THF for 18h; Heating;75%
With lithium aluminium tetrahydride; diethyl ether
With lithium aluminium tetrahydride In tetrahydrofuran at 20℃; for 4h;
Multi-step reaction with 2 steps
1: H2SO4
2: sodium; ethanol
View Scheme
dimethyl 3-methylglutarate
19013-37-7

dimethyl 3-methylglutarate

3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

Conditions
ConditionsYield
With lithium aluminium tetrahydride75%
With lithium aluminium tetrahydride In tetrahydrofuran for 24h; Heating;
4-(β-hydroxyethyl)-4-methyl-1,3-dioxane
2018-45-3

4-(β-hydroxyethyl)-4-methyl-1,3-dioxane

3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

Conditions
ConditionsYield
With hydrogen; copper at 240℃; under 225018 Torr; for 5h;65%
3,4-dihydro-2-methoxy-4-methyl-2H-pyran
38113-08-5, 38320-49-9, 53608-95-0

3,4-dihydro-2-methoxy-4-methyl-2H-pyran

3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

Conditions
ConditionsYield
With copper oxide-chromium oxide; water; hydrogen at 180℃; under 144160 Torr;
With hydrogen; nickel; acetic acid at 150℃; under 66195.7 Torr;
6-methoxy-4-methyl-3,6-dihydro-2H-pyran
59677-19-9

6-methoxy-4-methyl-3,6-dihydro-2H-pyran

3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

Conditions
ConditionsYield
With hydrogenchloride und Hydrieren des Reaktionsgemisches an Raney-Nickel in neutraler Loesung bei 125grad;
diethyl 3-methylglutarate
6829-42-1

diethyl 3-methylglutarate

3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

Conditions
ConditionsYield
With copper oxide-chromium oxide Hydrogenation;
With lithium aluminium tetrahydride; diethyl ether
With ethanol; sodium
3-methylpentanedial
6280-15-5

3-methylpentanedial

3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

Conditions
ConditionsYield
With ethanol; nickel at 100℃; under 36775.4 Torr; Hydrogenation;
3-methylenepentane-1,5-diol
40760-35-8

3-methylenepentane-1,5-diol

3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

Conditions
ConditionsYield
With 1,4-dioxane; nickel at 100℃; under 257428 Torr; Hydrogenation;
1,5-diacetoxy-3-methylpentane
40065-27-8

1,5-diacetoxy-3-methylpentane

sodium methylate
124-41-4

sodium methylate

3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

Conditions
ConditionsYield
With methanol
3-methyl-5-oxo-pentanoic acid methyl ester
5898-67-9

3-methyl-5-oxo-pentanoic acid methyl ester

3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

Conditions
ConditionsYield
With lithium aluminium tetrahydride
3-methyl-2.4-diethoxycarbonyl-glutaric acid diethyl ester

3-methyl-2.4-diethoxycarbonyl-glutaric acid diethyl ester

3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

Conditions
ConditionsYield
With copper chromite; hydrogen at 250℃; unter Druck;
tetraethyl 2-methylpropane-1,1,3,3-tetracarboxylate
4525-30-8

tetraethyl 2-methylpropane-1,1,3,3-tetracarboxylate

copper chromite

copper chromite

3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

Conditions
ConditionsYield
at 250℃; under 147102 - 220652 Torr;
dimethyl glutaconate
5164-76-1

dimethyl glutaconate

3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: CuI / tetrahydrofuran / 20 °C
1.2: TMSCl / tetrahydrofuran / -78 - 20 °C
2.1: lithium aluminum hydride / tetrahydrofuran / 24 h / Heating
View Scheme
2-ethoxy-4-methyl-3,4-dihydro-2H-pyran
10138-44-0

2-ethoxy-4-methyl-3,4-dihydro-2H-pyran

3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: aqueous sulfuric acid
2: Raney nickel; ethanol / 100 °C / 36775.4 Torr / Hydrogenation
View Scheme
2-methyl-1-buten-4-ol
763-32-6

2-methyl-1-buten-4-ol

3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 200 °C
2: Raney nickel; dioxane / 100 °C / 257428 Torr / Hydrogenation
View Scheme
Multi-step reaction with 3 steps
1.1: A-36 ion exchange resin / 100 °C / 1200.12 Torr / Autoclave; Large scale
1.2: hollow molecular sieve nanotubes supported silicotungstic acid catalyst / 105 - 155 °C / 825.08 Torr / Large scale
2.1: dicarbonyl(acetylacotonato)rhodium(I); C72H100O6P2; hydrogen / 24 h / 125 °C / 75007.5 Torr / Flow reactor
3.1: hydrogen / 150 - 240 °C / 1200.12 Torr / Flow reactor
View Scheme
Methyl 3,3-dimethylacrylate
924-50-5

Methyl 3,3-dimethylacrylate

3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: H2 / Co2(CO)8 / 140 °C / 132391 Torr
2: LiAlH4
View Scheme
Di-n-octyl phthalate
117-84-0

Di-n-octyl phthalate

4-Methyl-3,4,5,6-tetrahydro-2H-pyran-2-ol
18653-57-1

4-Methyl-3,4,5,6-tetrahydro-2H-pyran-2-ol

A

4-methyl-tetrahydro-pyran-2-one
1121-84-2

4-methyl-tetrahydro-pyran-2-one

B

3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

Conditions
ConditionsYield
With manganese dioxide; copper chromite
4-Methyl-3,4,5,6-tetrahydro-2H-pyran-2-ol
18653-57-1

4-Methyl-3,4,5,6-tetrahydro-2H-pyran-2-ol

A

4-methyl-tetrahydro-pyran-2-one
1121-84-2

4-methyl-tetrahydro-pyran-2-one

B

3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

C

MPAE
956007-32-2

MPAE

Conditions
ConditionsYield
With sodium hydroxide; hydrogen; nickel In water at 120℃; under 6600.66 Torr; for 5h; pH=8.4 - 10.9; Product distribution / selectivity;
With hydrogen In water at 120℃; for 2h; Product distribution / selectivity;
With hydrogen; cobalt In water at 120℃; for 5h; Product distribution / selectivity;
molybdenum hexacarbonyl
13939-06-5, 199620-15-0

molybdenum hexacarbonyl

3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

Conditions
ConditionsYield
With hydrogen In 1,4-dioxane
4-methyl-5,6-dihydro-2H-pyran-2-one
2381-87-5

4-methyl-5,6-dihydro-2H-pyran-2-one

3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

Conditions
ConditionsYield
With dicarbonylacetylacetonato rhodium (I); hydrogen; molybdenum hexacarbonyl In 1,4-dioxane at 200℃; under 90009 - 112511 Torr; for 2.33333h; Schlenk technique; Autoclave;
With 5 wt% ruthenium/carbon; hydrogen In water at 100℃; under 105011 Torr; for 6.3h;
With ruthenium-carbon composite; hydrogen In water at 100℃; under 105011 Torr; for 16h; Catalytic behavior; Temperature; Pressure;
3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

Conditions
ConditionsYield
With 5 wt% ruthenium/carbon; hydrogen In water at 100℃; under 105011 Torr; for 6.3h;
mevalonolactone
674-26-0

mevalonolactone

3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

Conditions
ConditionsYield
With ruthenium-carbon composite; hydrogen In water at 100℃; under 105011 Torr; for 3.5h; Catalytic behavior; Time;
3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sulfuric acid / 15 h / Reflux
2: hydrogen; ruthenium-carbon composite / water / 3.5 h / 100 °C / 105011 Torr
View Scheme
3-methyl-5-oxopentyl acetate
101153-84-8

3-methyl-5-oxopentyl acetate

3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

Conditions
ConditionsYield
With hydrogen at 150 - 240℃; under 1200.12 Torr; Flow reactor;
3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

4-methyltetrahydropyran
4717-96-8

4-methyltetrahydropyran

Conditions
ConditionsYield
With toluene-4-sulfonic acid at 135℃; for 41h;99.6%
With Amberlyst 1591%
With toluene-4-sulfonic acid at 135 - 155℃; Dean-Stark; Large scale;3662 g
With toluene-4-sulfonic acid at 135 - 155℃; for 41h; Large scale;
With toluene-4-sulfonic acid at 135 - 155℃;
3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

(S)-4-methyltetrahydro-2H-pyran-2-one
61898-56-4

(S)-4-methyltetrahydro-2H-pyran-2-one

Conditions
ConditionsYield
With horse liver alcohol dehydrogenase; oxygen; catalase; 7-(trifluoromethyl)-1,10-ethyleneisoalloxazinium chloride In aq. phosphate buffer at 20℃; for 13h; pH=8; Catalytic behavior; Reagent/catalyst; Enzymatic reaction; enantioselective reaction;97%
With 2,6-dimethylpyridine; sodium perchlorate In acetonitrile for 10h; Electrolysis;96.4%
With sodium perchlorate; (-)-sparteine In acetonitrile macroelectrolysis with 2,2,6,6-tetramethylpiperidine-1-yloxyl)-modified graphite felt electrodes;93.8%
3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

p-toluenesulfonyl chloride
98-59-9

p-toluenesulfonyl chloride

3-methylpentane-1,5-diyl bis(4-methylbenzenesulfonate)
148054-23-3

3-methylpentane-1,5-diyl bis(4-methylbenzenesulfonate)

Conditions
ConditionsYield
With dmap; triethylamine In acetonitrile at 20℃; for 3h;97%
With triethylamine In dichloromethane at 20℃; for 18h;82.5%
With pyridine at 20℃; for 2h;
With pyridine at 20℃; for 1h;
3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

4-methyl-tetrahydro-pyran-2-one
1121-84-2

4-methyl-tetrahydro-pyran-2-one

Conditions
ConditionsYield
With oxygen In toluene at 110℃; for 1h;96%
With hydrotalcite-supported copper nanoparticles In 1,3,5-trimethyl-benzene at 150℃; for 8h; Inert atmosphere;96%
With [RuCl2(PPh3)2(2-PyCH21,3,5-triaza-7-phosphadamantane)].Br; potassium hydroxide In water for 48h; Reagent/catalyst; Schlenk technique; Reflux; Inert atmosphere; Green chemistry;96%
3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

benzylamine
100-46-9

benzylamine

1-benzyl-4-methylpiperidine
14446-71-0

1-benzyl-4-methylpiperidine

Conditions
ConditionsYield
With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; sodium hydrogencarbonate In toluene at 110℃; for 16h; Microwave irradiation; Inert atmosphere; Sealed tube;96%
With 1,4-dioxane; copper oxide-chromium oxide; hydrogen at 250℃; under 147102 - 294203 Torr;
3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

3-methyl-1,5-diiodopentane
51174-46-0

3-methyl-1,5-diiodopentane

Conditions
ConditionsYield
With phosphorus; iodine at 45℃; for 42h; Cooling with ice bath;87%
With phosphorus; iodine
Multi-step reaction with 2 steps
1: 73 percent / PBr3 / 20 h / -10 - 20 °C
2: 89 percent / NaI / acetone / 3 h / Heating
View Scheme
3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

p-Trifluoromethylbenzylamine
3300-51-4

p-Trifluoromethylbenzylamine

N-methyl-1-(4-(trifluoromethyl)benzyl)piperidine

N-methyl-1-(4-(trifluoromethyl)benzyl)piperidine

Conditions
ConditionsYield
With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; sodium hydrogencarbonate In toluene at 110℃; for 16h; Microwave irradiation; Inert atmosphere; Sealed tube;86%
3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

3-methyl-1,5-dibromopentane
4457-72-1

3-methyl-1,5-dibromopentane

Conditions
ConditionsYield
With carbon tetrabromide; triphenylphosphine In dichloromethane at 0℃; for 1h;85%
With hydrogen bromide In octane; water at 147 - 148℃; for 12h; Dean-Stark;83%
With phosphorus tribromide at -10 - 20℃; for 20h; Substitution;73%
3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

3-chloroprop-1-ene
107-05-1

3-chloroprop-1-ene

1,5-Bis-allyloxy-3-methyl-pentane

1,5-Bis-allyloxy-3-methyl-pentane

Conditions
ConditionsYield
With sodium hydroxide; tetra(n-butyl)ammonium hydroxide at 40℃; for 7h;85%
3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

tert-butyldimethylsilyl chloride
18162-48-6

tert-butyldimethylsilyl chloride

5-(tert-butyldimethylsilyl)oxy-3-methyl-1-pentanol
295318-34-2

5-(tert-butyldimethylsilyl)oxy-3-methyl-1-pentanol

Conditions
ConditionsYield
Stage #1: 3-methylpentane-1,5-diol With n-butyllithium In tetrahydrofuran; hexane at 20℃; Inert atmosphere;
Stage #2: tert-butyldimethylsilyl chloride In tetrahydrofuran; hexane at 20℃; for 0.75h; Inert atmosphere;
Stage #3: With water; ammonium chloride
84%
With sodium hydride In tetrahydrofuran Substitution; Silylation;83%
Stage #1: 3-methylpentane-1,5-diol With n-butyllithium In tetrahydrofuran; hexane at 0 - 20℃; for 0.5h;
Stage #2: tert-butyldimethylsilyl chloride In tetrahydrofuran; hexane at 20℃;
52%
Stage #1: 3-methylpentane-1,5-diol With sodium hydride In tetrahydrofuran Inert atmosphere;
Stage #2: tert-butyldimethylsilyl chloride In tetrahydrofuran at 0℃; Inert atmosphere;
51%
3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

p-toluenesulfonyl chloride
98-59-9

p-toluenesulfonyl chloride

5-hydroxy-3-methylpentyl 4-methylbenzenesulfonate
1076691-71-8

5-hydroxy-3-methylpentyl 4-methylbenzenesulfonate

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0℃; for 3.16667h; Inert atmosphere;84%
3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

2',3',4',5',6'-pentamethylacetophenone
2040-01-9

2',3',4',5',6'-pentamethylacetophenone

(4-methylcyclohex-1-en-1-yl)(2,3,4,5,6-pentamethylphenyl)methanone

(4-methylcyclohex-1-en-1-yl)(2,3,4,5,6-pentamethylphenyl)methanone

Conditions
ConditionsYield
With bis(1,5-cyclooctadiene)diiridium(I) dichloride; potassium hydroxide; catacxium A In toluene at 115℃; for 24h; Time; Sealed tube; chemoselective reaction;84%
3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

1,1'-(2-nitroethene-1,1-diyl)dibenzene
5670-69-9

1,1'-(2-nitroethene-1,1-diyl)dibenzene

C34H36N2O6

C34H36N2O6

Conditions
ConditionsYield
Stage #1: 3-methylpentane-1,5-diol With sodium hydride In tetrahydrofuran at 0℃; for 1h; Inert atmosphere;
Stage #2: 1,1'-(2-nitroethene-1,1-diyl)dibenzene In tetrahydrofuran at 15℃; for 15h;
82%
3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

propargyl bromide
106-96-7

propargyl bromide

3-methyl-1,5-bis(prop-2-yn-1-yloxy)pentane

3-methyl-1,5-bis(prop-2-yn-1-yloxy)pentane

Conditions
ConditionsYield
Stage #1: 3-methylpentane-1,5-diol With sodium hydride In tetrahydrofuran for 0.5h; Inert atmosphere;
Stage #2: propargyl bromide In tetrahydrofuran Inert atmosphere;
80%
3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

3-methyl-(1,5)-azopentane

3-methyl-(1,5)-azopentane

Conditions
ConditionsYield
With diphenylphosphoranyl azide; 1,8-diazabicyclo[5.4.0]undec-7-ene In N,N-dimethyl-formamide at 65℃; for 16h;76%
3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

2',3',4',5',6'-pentamethylacetophenone
2040-01-9

2',3',4',5',6'-pentamethylacetophenone

(trans-4-methylcyclohexyl)(2,3,4,5,6-pentamethylphenyl)methanone

(trans-4-methylcyclohexyl)(2,3,4,5,6-pentamethylphenyl)methanone

Conditions
ConditionsYield
With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; potassium hydroxide In toluene at 115℃; for 24h; Inert atmosphere; Sealed tube; diastereoselective reaction;76%
With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; potassium hydroxide In toluene at 115℃; for 24h; Sealed tube; Inert atmosphere; diastereoselective reaction;76%
3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

all-trans-retinoic-acid
302-79-4

all-trans-retinoic-acid

3-methyl-1,5-diretinylpentanediester
1354766-27-0

3-methyl-1,5-diretinylpentanediester

Conditions
ConditionsYield
Stage #1: 3-methylpentane-1,5-diol; all-trans-retinoic-acid With dmap; dicyclohexyl-carbodiimide In toluene at 20℃; for 15h; Darkness; Inert atmosphere;
Stage #2: With hydrogenchloride In water; toluene
74.5%
3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

triisopropylsilyl chloride
13154-24-0

triisopropylsilyl chloride

C15H34O2Si

C15H34O2Si

Conditions
ConditionsYield
With 1H-imidazole In N,N-dimethyl-formamide at 0℃; for 5h;70%
3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

2-[2'-hydroxy-3'-tert-butyl-5'-(2''-methoxycarbonylethyl)phenyl]-2H-benzotriazole
84268-33-7

2-[2'-hydroxy-3'-tert-butyl-5'-(2''-methoxycarbonylethyl)phenyl]-2H-benzotriazole

C44H52N6O6

C44H52N6O6

Conditions
ConditionsYield
With di(n-butyl)tin oxide at 170℃; for 20h; Dean-Stark; Inert atmosphere;65%
3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

A

2-methylbutanedioic acid
498-21-5, 636-60-2

2-methylbutanedioic acid

B

3-methyl glutaric acid
626-51-7

3-methyl glutaric acid

Conditions
ConditionsYield
With dinitrogen tetraoxide In nitric acid at 60℃; Heating;A 62%
B 23%
With dinitrogen tetraoxide In nitric acid at 50℃; Heating;A 45%
B 33%
3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

(4R)-4-methyltetrahydro-2H-pyran-2-one
61898-55-3

(4R)-4-methyltetrahydro-2H-pyran-2-one

Conditions
ConditionsYield
With acetate buffer pH 5 In water at 30℃; for 48h; Gluconobacter roseus IAM 1841;57%
Multi-step reaction with 3 steps
2: Jones oxidation
3: 1.) CH2N2, 2.) aq. HCl, MeOH
View Scheme
3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

p-toluenesulfonyl chloride
98-59-9

p-toluenesulfonyl chloride

3-methylpentane-1,5-bis(4-methylbenzenesulfonyl)

3-methylpentane-1,5-bis(4-methylbenzenesulfonyl)

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃; for 12h;55%
3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

phenylcarbonochloridothioate
1005-56-7

phenylcarbonochloridothioate

O-(5-hydroxy-3-methylpentyl) O-phenyl thionocarbonate
152429-69-1

O-(5-hydroxy-3-methylpentyl) O-phenyl thionocarbonate

Conditions
ConditionsYield
With pyridine; dmap In acetonitrile at 0℃; for 5h;54%
3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

2',3',4',5',6'-pentamethylacetophenone
2040-01-9

2',3',4',5',6'-pentamethylacetophenone

3-isobutylpentane-1,1,5,5-d4-1,5-diol

3-isobutylpentane-1,1,5,5-d4-1,5-diol

A

(4-methylcyclohex-1-en-1-yl)(2,3,4,5,6-pentamethylphenyl)methanone

(4-methylcyclohex-1-en-1-yl)(2,3,4,5,6-pentamethylphenyl)methanone

B

C22H29(2)H3O

C22H29(2)H3O

Conditions
ConditionsYield
With bis(1,5-cyclooctadiene)diiridium(I) dichloride; potassium hydroxide; catacxium A In toluene at 115℃; for 24h; Sealed tube; Overall yield = 77 percent; Overall yield = 135 mg;A 51%
B 26%
3-methylpentane-1,5-diol
4457-71-0

3-methylpentane-1,5-diol

acryloyl chloride
814-68-6

acryloyl chloride

3-methyl 1,5-pentanediol diacrylate
64194-22-5

3-methyl 1,5-pentanediol diacrylate

Conditions
ConditionsYield
With triethylamine; 2-hydroxyresorcinol In benzene at 50℃; for 0.5h;50%

3-Methyl-1,5-pentanediol Chemical Properties

Molecular Structure of 3-Methyl-1,5-pentanediol (4457-71-0):

EINECS: 224-709-1
IUPAC Name:  3-Methylpentane-1,5-diol 
Molecular Formula: C6H14O2
Molecular Weight: 118.174160 g/mol
XLogP3: 0.3
H-Bond Donor: 2
H-Bond Acceptor: 2
Canonical SMILES: CC(CCO)CCO
InChI: InChI=1S/C6H14O2/c1-6(2-4-7)3-5-8/h6-8H,2-5H2,1H3
InChIKey: SXFJDZNJHVPHPH-UHFFFAOYSA-N
Index of Refraction: 1.447
Molar Refractivity: 32.87 cm3
Molar Volume: 122.9 cm3
Surface Tension: 36.2 dyne/cm
Density: 0.961 g/cm3
Flash Point: 106.3 °C
Enthalpy of Vaporization: 54.08 kJ/mol
Boiling Point: 228.6 °C at 760 mmHg
Vapour Pressure: 0.0141 mmHg at 25 °C
Water Solubility: 2.617e+004 mg/L at 25 °C
Refractive Index: n20/D 1.454
BRN: 1697331

3-Methyl-1,5-pentanediol Toxicity Data With Reference

1.    

ivn-mus LD50:320 mg/kg

    CSLNX*    U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#01094 .

3-Methyl-1,5-pentanediol Consensus Reports

Reported in EPA TSCA Inventory.

3-Methyl-1,5-pentanediol Safety Profile

Safety Information of 3-Methyl-1,5-pentanediol (4457-71-0):
Safety Statements: 23-24/25
23: Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer)
24/25: Avoid contact with skin and eyes
RIDADR: 1987
WGK Germany: 1
RTECS: SA0800000
Poison by intravenous route. Flammable when exposed to heat or flame; can react with oxidizing materials. To fight fire, use foam, dry chemical, CO2. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALCOHOL, DENATURED; ALCOHOLS, C6-12; ALCOHOLS, C9-11; ALCOHOLS, C12-13, ETHOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED; ALCOHOLS, C12-16, ETHOXYLATED; ALCOHOLS, C14-15, ETHOXYLATED; ALCOHOLS, C16-18, ETHOXYLATED; ALCOHOLS, C8-10, ETHOXYLATED PROPOXYLATED; ALCOHOLS, C12-15, ETHOXYLATED PROPOXYLATED; ALCOHOLS, N.O.S..

3-Methyl-1,5-pentanediol Specification

  3-Methyl-1,5-pentanediol (4457-71-0) is known as 1,5-Dihydroxy-3-methylpentane ; 4-01-00-02571 (Beilstein Handbook Reference) ; AI3-28481 ; NSC 6496 ; 1,5-Pentanediol, 3-methyl- ; 3-Methylpentane-1,5-diol .

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