1,2,4-Butanetriol

HCID 178531173CAS 6810-31-7
Substructure searchFind similar structures

Basic information

Standard SMILES
OCCC(O)CO
InChIKey
ARXKVVRQIIOZGF-UHFFFAOYSA-N
Molecular formula
C4H10O3
Average molar mass
106.12 g/mol

Overview

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 an Escherichia coli metabolite and a bacterial xenobiotic metabolite. It derives from a hydride of a butane.

Names & identifiers

Preferred name
1,2,4-Butanetriol
IUPAC
butane-1,2,4-triol
English name
butane-1,2,4-triol
Molecular formula
C4H10O3
Molecular weight
0

Names & synonyms

1,2,4-BUTANETRIOL3068-00-62-Deoxyerythritol1,2,4-Trihydroxybutane1,3,4-ButanetriolTriol 1241,2,4-ButantriolDTXSID8044416NK798C370HNSC-60197DTXCID6024416CHEBI:88063
Show more names
RefChem:71515221-323-5Butane-1,2,4-Triol(+/-)-1,2,4-ButanetriolMFCD00002929C4H10O3( inverted exclamation markA)-1,2,4-Butanetriol1,2,4-Butantriol [German]

Database identifiers

CAS
6810-31-7
ChEMBL
CHEMBL1356759
ChEBI
CHEBI:88063
UNII
NK798C370H
EC Number
221-323-5
Nikkaji
J71.197G

Properties

Computed structural properties

XLogP
-1.4
Topological polar surface area
60.7 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
7

Experimental & physicochemical properties

PolymersOther Classes -> Alcohols and Polyols, Other
Physical Description · 2 items

Liquid

Colorless to yellow liquid, miscible in water; [MSDSonline]

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 1.1% (1 of 92) of reports.

Warning

H315 (98.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 92 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

1,2,4-Butanetriol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2,4-Butanetriol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

1,2,4-Butanetriol: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; [MSDSonline]
Hazard Classes and CategoriesSkin Irrit. 2 (98.9%)

Chemistry & industry

Uses & manufacturing

U.S. Production2023: <50,000 lb
Industry UsesOther
General Manufacturing Information · 2 items

Other (requires additional information)

1,2,4-Butanetriol: ACTIVE

Suppliers1 total

HONEST JOY HOLDINGS LIMITED[email protected]

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Linked notes

Loading…