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Home > Encyclopedia > 1,2,4-Butanetriol

1,2,4-Butanetriol

1,2,4-Butanetriol structure

1,2,4-Butanetriol 

structure
  • CAS No:

    3068-00-6

  • Formula:

    C4H10O3

  • Chemical Name:

    1,2,4-Butanetriol

  • Synonyms:

    1,2,4-Butanetriol;Triol 124;1,3,4-Butanetriol;1,2,4-Trihydroxybutane;2-Deoxyerythritol;(±)-1,2,4-Butanetriol;NSC 60197;Butan-1,2,4-triol;6810-31-7

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

clear yellow to slightly brownish liquid


1,2,4-butanetriol is a triol that is butane carrying three hydroxy substituents at position 1, 2 and 4. It has a role as a bacterial xenobiotic metabolite and an Escherichia coli metabolite. It derives from a hydride of a butane.

1,2,4-Butanetriol Basic Attributes

106.121

106.12

221-323-5

60197

DTXSID8044416

2905499000

Characteristics

60.7

-2.09

1.1772 g/cm3 @ Temp: 19.64 °C

-20ºC

167-168 °C @ Press: 11 Torr

153.9±16.4 °C

1.487

Safety Information

NONH for all modes of transport

1

R36/37/38

S26-S36

EK7176000

Xi:Irritant;

P261-P305 + P351 + P338

H315-H319-H335

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 92 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

1,2,4-butanetriol

1,2,4-Butanetriol Use and Manufacturing

1,2,4-Butanetriol: ACTIVE

Computed Properties

Molecular Weight:106.12
XLogP3:-1.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:106.062994177
Monoisotopic Mass:106.062994177
Topological Polar Surface Area:60.7
Heavy Atom Count:7
Complexity:37.9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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