ChemicalBook--->CAS DataBase List--->3068-00-6

3068-00-6

3068-00-6 Structure

3068-00-6 Structure
IdentificationMore
[Name]

1,2,4-Butanetriol
[CAS]

3068-00-6
[Synonyms]

(+/-)-1,2,4-BUTANETRIOL
1,2,4-BUTANETRIOL
1,2,4-BUTANTRIOL
1,2,4-TRIHYDROXYBUTANE
butane-1,2,4-triol
1,3,4-Butanetriol
2-Deoxyerythritol
Triol 124
triol124
Butanetriol,97%
1 2 4-BUTANETRIOL 96%
trihydroxybutane
1,2,4-BUTANETRIOL 99.5%
1,2,4-BUTANETRIOL 98+%
[EINECS(EC#)]

221-323-5
[Molecular Formula]

C4H10O3
[MDL Number]

MFCD00002929
[Molecular Weight]

106.12
[MOL File]

3068-00-6.mol
Chemical PropertiesBack Directory
[Appearance]

clear yellow to slightly brownish liquid
[Melting point ]

-20°C
[Boiling point ]

190-191 °C18 mm Hg(lit.)
[density ]

1.19 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.473(lit.)
[Fp ]

188°C
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

DMSO, Water
[form ]

Oil
[pka]

14.02±0.20(Predicted)
[color ]

Clear Colourless
[Sensitive ]

Hygroscopic
[BRN ]

1733456
[InChI]

1S/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2
[InChIKey]

ARXKVVRQIIOZGF-UHFFFAOYSA-N
[SMILES]

OCCC(O)CO
[CAS DataBase Reference]

3068-00-6(CAS DataBase Reference)
[NIST Chemistry Reference]

HOCH2CH(OH)CH2CH2OH(3068-00-6)
[EPA Substance Registry System]

3068-00-6(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

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 ]

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
[TSCA ]

Yes
[HS Code ]

29054990
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Nickel-->Calcium carbonate-->Molybdenum disulfide-->2-Butyne-1,4-diol-->MERCURY(II) SULFATE-->1,4-Dihydroxy-2-butanone
[Preparation Products]

1,4-Dichloro-2-butanol-->4-hydroxybutanal-->1,2,4-Butanetriol trinitrate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Butane-1,2,4-triol(3068-00-6).msds
Hazard InformationBack Directory
[Chemical Properties]

clear yellow to slightly brownish liquid
[Uses]

1,2,4-Butanetriol was used as starting reagent during the synthesis of a series of quaternary ammonium lipids. It was also used in the synthesis of (-)-γ-amino-8-hydroxy butyric acid (GABOB), antiepileptic and hypotensive drug.
[Definition]

ChEBI: A triol that is butane carrying three hydroxy substituents at position 1, 2 and 4.
Spectrum DetailBack Directory
[Spectrum Detail]

1,2,4-Butanetriol(3068-00-6)MS
1,2,4-Butanetriol(3068-00-6)1HNMR
1,2,4-Butanetriol(3068-00-6)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1,2,4-Butanetriol, 95%(3068-00-6)
[Alfa Aesar]

1,2,4-Butanetriol, 96%(3068-00-6)
[Sigma Aldrich]

3068-00-6(sigmaaldrich)
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