Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

1,3-Butanediol,3-methyl-
Related Products

Hot Products

Basic Information Post buying leads Suppliers Cas Database
Name

1,3-Butanediol,3-methyl-

 EINECS N/A
CAS No. 2568-33-4 Density 0.981 g/cm3
PSA 40.46000 LogP 0.13970
Solubility 1g/L at 20℃ Melting Point 50.86°C (estimate)
Formula C5H12O2 Boiling Point 201 °C at 760 mmHg
Molecular Weight 104.149 Flash Point 91.3 °C
Transport Information N/A Appearance Clear colorless liquid
Safety 23-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 2568-33-4 (3-METHYL-1,3-BUTANEDIOL) Hazard Symbols N/A
Synonyms

1,1-Dimethyl-1,3-propanediol;1,3-Dihydroxy-3-methylbutane;2-Methyl-2,4-butanediol;3,3-Dimethyl-1,3-propanediol;3-Hydroxy-3-methylbutan-1-ol;3-Hydroxy-3-methylbutanol;3-Methyl-1,3-butanediol;3-Methyl-1,3-butyleneglycol;Isopentyl diol;Isoprene glycol;NSC 62084;

Article Data 70

1,3-Butanediol,3-methyl- Synthetic route

32368-09-5

1,1-dimethyl-trimethylene carbonate

A

67-56-1

methanol

B

2568-33-4

3-methyl-butane-1,3-diol

Conditions
ConditionsYield
With C23H21MnN2O3P(1+)*Br(1-); potassium tert-butylate; hydrogen In 1,4-dioxane at 140℃; under 37503.8 Torr; for 16h; Autoclave;A 99 %Chromat.
B 99%
32368-09-5

1,1-dimethyl-trimethylene carbonate

2568-33-4

3-methyl-butane-1,3-diol

Conditions
ConditionsYield
With [carbonylchlorohydrido{bis[2-(diphenylphosphinomethyl)ethyl]amino}ethylamino] ruthenium(II); potassium tert-butylate; hydrogen In tetrahydrofuran at 140℃; under 38002.6 Torr; for 12h; Autoclave;97%

3-{[tert-butyl(dimethyl)silyl]oxy}-3-methylbutan-1-ol

2568-33-4

3-methyl-butane-1,3-diol

Conditions
ConditionsYield
With sodium tetrachloroaurate(III) dihydrate In methanol at 20℃; for 40h;93%
590-90-9

1-Hydroxy-3-butanone

75-16-1

methylmagnesium bromide

2568-33-4

3-methyl-butane-1,3-diol

Conditions
ConditionsYield
In tetrahydrofuran; diethyl ether at 0℃; for 1h; Grignard reaction;64%
50-00-0

formaldehyd

115-11-7

isobutene

A

16302-35-5

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

B

2270-61-3

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

C

2568-33-4

3-methyl-butane-1,3-diol

D

96-39-9

methylcyclopentadiene

E

219811-94-6

3,4,4-trimethylcyclohexene

F

590-86-3

isovaleraldehyde

G

78-79-5

isoprene

Conditions
ConditionsYield
With niobium phosphate at 299.84℃; for 3.33333h; Temperature;A n/a
B n/a
C n/a
D n/a
E n/a
F n/a
G 57%
...Expand
590-90-9

1-Hydroxy-3-butanone

CH3X (X=Br or I)

CH3X (X=Br or I)

2568-33-4

3-methyl-butane-1,3-diol

Conditions
ConditionsYield
With magnesium Grignard reaction;50%
18267-36-2

ethyl 3-hydroxy-3-methylbutanoate

2568-33-4

3-methyl-butane-1,3-diol

Conditions
ConditionsYield
With lithium aluminium tetrahydride40%
With lithium aluminium tetrahydride In diethyl ether
With lithium aluminium tetrahydride
625-08-1

3-Hydroxy-3-methylbutyric acid

2568-33-4

3-methyl-butane-1,3-diol

Conditions
ConditionsYield
With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃; for 3h;39%
766-15-4

4,4-dimethyl-1,3-dioxane

2568-33-4

3-methyl-butane-1,3-diol

Conditions
ConditionsYield
With methanol; sulfuric acid
With water; chlorine at 2 - 8℃;
With ion-exchange resin + form>; ethanethiol In 1,4-dioxane
With europium(III) hydroxide; water at 180℃; for 9h; Autoclave;
With ethanol; sulfuric acid bei Siedetemperatur;
56-23-5

tetrachloromethane

624-96-4

1,3-dichloro-3-methylbutane

2568-33-4

3-methyl-butane-1,3-diol

Conditions
ConditionsYield
at 150℃;

1,3-Butanediol,3-methyl- Specification

The 1,3-Butanediol,3-methyl-, with CAS registry number 2568-33-4, belongs to the following product categories: (1)Organic Building Blocks; (2)Oxygen Compounds; (3)Polyols. It has the systematic name of 3-methylbutane-1,3-diol. This chemical is a kind of clear colorless liquid. When use it, please do not breathe vapour and avoid contact with skin and eyes. What's more, its classification codes are TSCA Flag P [A commenced PMN (Premanufacture Notice) substance] and TSCA Flag S [Substance is identified in a proposed or final SNUR (Significant New Use Rule) under TSCA].

Physical properties of 1,3-Butanediol,3-methyl-: (1)ACD/LogP: -0.34; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 18.46 Å2; (7)Index of Refraction: 1.445; (8)Molar Refractivity: 28.24 cm3; (9)Molar Volume: 106.1 cm3; (10)Polarizability: 11.19×10-24cm3; (11)Surface Tension: 35.8 dyne/cm; (12)Density: 0.981 g/cm3; (13)Flash Point: 91.3 °C; (14)Enthalpy of Vaporization: 50.86 kJ/mol; (15)Boiling Point: 201 °C at 760 mmHg; (16)Vapour Pressure: 0.078 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-hydroxy-3-methyl-butyric acid ethyl ester. This reaction will need reagent LiAlH4.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCC(O)(C)C
(2)InChI: InChI=1/C5H12O2/c1-5(2,7)3-4-6/h6-7H,3-4H2,1-2H3
(3)InChIKey: XPFCZYUVICHKDS-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C5H12O2/c1-5(2,7)3-4-6/h6-7H,3-4H2,1-2H3
(5)Std. InChIKey: XPFCZYUVICHKDS-UHFFFAOYSA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 2568-33-4