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1,2,4-Butanetriol

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1,2,4-Butanetriol

EINECS 221-323-5
CAS No. 3068-00-6 Density 1.213 g/cm3
Solubility Melting Point -20 °C
Formula C4H10O3 Boiling Point 303.9 °C at 760 mmHg
Molecular Weight 106.12 . Flash Point 153.9 °C
Transport Information 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;

 

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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