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| CAS No.: | 3068-00-6 |
|---|---|
| Name: | 1,2,4-Butanetriol |
| Molecular Structure: | |
|
|
|
| Formula: | C4H10O3 |
| Molecular Weight: | 106.122 |
| Synonyms: | 1,2,4-Trihydroxybutane;1,3,4-Butanetriol;2-Deoxyerythritol;Butane-1,2,4-triol; |
| EINECS: | 221-323-5 |
| Density: | 1.213 g/cm3 |
| Melting Point: | -20 °C |
| Boiling Point: | 303.9 °C at 760 mmHg |
| Flash Point: | 153.9 °C |
| Appearance: | clear yellow to slightly brownish liquid |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 26-36 |
| PSA: | 60.69000 |
| LogP: | -1.27800 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
| 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% |
| 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 | 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 | 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% |
| 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
| Conditions | Yield |
|---|---|
| With 3-Hydroxytetrahydrofuran; trisodium arsenite; hydrogen bromide for 96h; Ambient temperature; | A 5% B 17% |
| Conditions | Yield |
|---|---|
| With copper chromite; ethanol at 100 - 150℃; under 257428 Torr; Hydrogenation; | |
| With ethanol; nickel at 100 - 150℃; under 257428 Torr; Hydrogenation; |
| 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
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With titanium tetrachloride 1) CH2Cl2, 72h, reflux 2) saponification; Multistep reaction; |
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- 1076-22-81H-Purine-2,6-dione,3,9-dihydro-3-methyl-
- 464-92-6Asiatic acid
- 39515-51-0Benzaldehyde,3-phenoxy-
- 102-82-91-Butanamine,N,N-dibutyl-
- 111406-87-2Zileuton
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
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Chemistry
Molecular Structure of Butane-1,2,4-triol (CAS NO.3068-00-6):
.png)
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
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. |
Safety Profile
Hazard Codes: 
Xi,
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
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.