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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		Hazard Symbols	Xn, Xi
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

Conditions	Yield
With hydrogen; 5% activated charcoal-supported ruthenium catalyst In ethanol at 120℃; under 120012 Torr; for 70 - 90h; Product distribution / selectivity;	90%
In water	77%
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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;

: 50-00-0
formaldehyd

A: 3068-00-6
D,L-1,2,4-butanetriol

B: 2319-57-5, 2418-52-2, 6968-16-7, 7493-90-5, 7541-59-5
1,2,3,4-butanetetrol

C: 107-21-1
ethylene glycol

D: 89615-91-8
2-C-hydroxymethyltetritol

E: 56-81-5
glycerol

F: 50-70-4, 69-65-8, 87-78-5, 133-43-7, 488-44-8, 488-45-9, 608-66-2, 643-01-6, 643-03-8, 5552-13-6, 6706-59-8, 24557-79-7, 25878-23-3, 26566-34-7, 45007-61-2, 60660-56-2, 60660-57-3, 60660-58-4, 132747-27-4
sorbitol

Conditions

Conditions	Yield
With calcium oxide Product distribution; Heating; reduction of formed monosacharides;;

...Expand

: 131076-15-8, 79677-01-3
3-Benzoyloxytetrahydrofuran

: 3068-00-6
D,L-1,2,4-butanetriol

Conditions

Conditions	Yield
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: Irritant Xi, Harmful Xn
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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