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1,2,4-Butanetriol

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Name

1,2,4-Butanetriol

EINECS 221-323-5
CAS No. 3068-00-6 Density 1.213 g/cm3
PSA 60.69000 LogP -1.27800
Solubility N/A Melting Point -20 °C
Formula C4H10O3 Boiling Point 303.9 °C at 760 mmHg
Molecular Weight 106.122 Flash Point 153.9 °C
Transport Information N/A Appearance clear yellow to slightly brownish liquid
Safety 26-36 Risk Codes 36/37/38-20/21/22
Molecular Structure Molecular Structure of 3068-00-6 (1,2,4-Butanetriol) Hazard Symbols HarmfulXn, IrritantXi
Synonyms

1,2,4-Trihydroxybutane;1,3,4-Butanetriol;2-Deoxyerythritol;Butane-1,2,4-triol;

Article Data 61

1,2,4-Butanetriol Synthetic route

617-48-1

malic acid

3068-00-6

D,L-1,2,4-butanetriol

Conditions
ConditionsYield
With hydrogen; 5% activated charcoal-supported ruthenium catalyst In ethanol at 120℃; under 120012 Torr; for 70 - 90h; Product distribution / selectivity;90%
In water77%
With hydrogen; 5% activated charcoal-supported ruthenium catalyst In water at 100 - 120℃; under 7500.75 - 90009 Torr; for 6 - 24h; Product distribution / selectivity;63%
928-01-8

maleamide

3068-00-6

D,L-1,2,4-butanetriol

Conditions
ConditionsYield
With ruthenium on silica; hydrogen In tetrahydrofuran at 200℃; under 75007.5 Torr; for 12h; Temperature; Pressure; Time;87%
38115-87-6

malic acid dimethyl ester

3068-00-6

D,L-1,2,4-butanetriol

Conditions
ConditionsYield
With hydrogen; CuO/ZnO/Al2O3 In tetrahydrofuran at 180℃; under 7500.75 - 75007.5 Torr; for 4h; Product distribution / selectivity;80%
With potassium tert-butylate In 1,4-dioxane at 70℃; for 48h; Temperature; Time;62%
With potassium borohydride In ethanol
With hydrogenchloride; sodium borohydrid In tetrahydrofuran; methanol; isopropyl alcohol; acetone
With hydrogen; [(MeC(CH2PPh2)3)Ru(acetonitrile)3](CF3SO3)2 In methanol at 100℃; under 30003 Torr; for 14h; Product distribution / selectivity; Inert atmosphere; Autoclave;>= 99.9 %Chromat.
617-48-1

malic acid

A

57-55-6

propylene glycol

B

110-63-4

Butane-1,4-diol

C

3068-00-6

D,L-1,2,4-butanetriol

D

107-21-1

ethylene glycol

Conditions
ConditionsYield
With hydrogen; Ru-carbon In water at 135℃; under 258574 Torr; for 10h; Further byproducts given;A 11%
B 8%
C 74%
D 3%
627-27-0

homoalylic alcohol

3068-00-6

D,L-1,2,4-butanetriol

Conditions
ConditionsYield
Stage #1: homoalylic alcohol With formic acid; water; dihydrogen peroxide at 55 - 60℃; for 7h;
Stage #2: With methanol; Marlon-AS3 at 55 - 85℃; for 3h;
72%
With sulfuric acid; water; dihydrogen peroxide
Stage #1: homoalylic alcohol With sodium periodate; acetic acid; lithium bromide at 95℃; for 18h; Prevost-Woodward reaction;
Stage #2: With potassium carbonate In methanol at 25℃; for 24h;
With potassium permanganate
33835-83-5

rac-3,4-dihydroxybutyl bromide

A

3068-00-6

D,L-1,2,4-butanetriol

B

rac-3,4-dihydroxybutylarsonic acid

Conditions
ConditionsYield
With 3-Hydroxytetrahydrofuran; trisodium arsenite; hydrogen bromide for 96h; Ambient temperature;A 5%
B 17%
7554-12-3

diethylmalate

3068-00-6

D,L-1,2,4-butanetriol

Conditions
ConditionsYield
With copper chromite; ethanol at 100 - 150℃; under 257428 Torr; Hydrogenation;
With ethanol; nickel at 100 - 150℃; under 257428 Torr; Hydrogenation;
140-86-3

1,4-dihydroxy-2-butanone

3068-00-6

D,L-1,2,4-butanetriol

Conditions
ConditionsYield
With water; nickel at 60 - 100℃; under 147102 Torr; Hydrogenation;
With copper oxide-chromium oxide; water; silica gel at 80 - 100℃; under 147102 Torr; Hydrogenation;
Conditions
ConditionsYield
With calcium oxide Product distribution; Heating; reduction of formed monosacharides;;
131076-15-8, 79677-01-3

3-Benzoyloxytetrahydrofuran

3068-00-6

D,L-1,2,4-butanetriol

Conditions
ConditionsYield
With titanium tetrachloride 1) CH2Cl2, 72h, reflux 2) saponification; Multistep reaction;

1,2,4-Butanetriol Chemical Properties

Molecular Structure of Butane-1,2,4-triol (CAS NO.3068-00-6):

IUPAC Name: butane-1,2,4-triol 
Empirical Formula: C4H10O3
Molecular Weight: 106.1204
H bond acceptors: 3
H bond donors: 3
Freely Rotating Bonds: 6
Polar Surface Area: 27.69 Å2
Index of Refraction: 1.486
Molar Refractivity: 25.14 cm3
Molar Volume: 87.4 cm3
Surface Tension: 55.6 dyne/cm
Density: 1.213 g/cm3
Flash Point: 153.9 °C
Enthalpy of Vaporization: 63.12 kJ/mol
Boiling Point: 303.9 °C at 760 mmHg
Vapour Pressure: 8.63E-05 mmHg at 25°C
Sensitive: Hygroscopic
BRN: 1733456
Melting point: -20°C
InChI
InChI=1/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2
Smiles
C([C@@H](CO)O)CO
EINECS: 221-323-5
Product Categories: Organic Building Blocks; Oxygen Compounds; Polyols

1,2,4-Butanetriol Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 23gm/kg (23000mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 93, Pg. 152, 1953.

1,2,4-Butanetriol Safety Profile

Hazard Codes: IrritantXi,HarmfulXn
Risk Statements: 36/37/38-20/21/22
R36/37/38:Irritating to eyes, respiratory system and skin. 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 1
RTECS: EK7176000

1,2,4-Butanetriol Specification

  Butane-1,2,4-triol , with CAS number of 3068-00-6, can be called 1,2,4-Trihydroxybutane ; 1,3,4-Butanetriol ; 2-Deoxyerythritol ; (2R)-Butane-1,2,4-triol . It is a clear yellow to slightly brownish liquid.

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