1,2,4-Butanetriol

HCID 178531173
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Grundinformationen

CAS
6810-31-7
Standard-SMILES
OCCC(O)CO
InChIKey
ARXKVVRQIIOZGF-UHFFFAOYSA-N
Summenformel
C4H10O3
Durchschnittliche Molmasse
106,12 g/mol

Überblick

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.

Namen und Bezeichner

Bevorzugter Name
1,2,4-Butanetriol
IUPAC
butane-1,2,4-triol
Englischer Name
butane-1,2,4-triol
Summenformel
C4H10O3
Molmasse
0

Namen und Synonyme

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-1,4
Polarare Oberfläche (TPSA)
60,7 Ų
H-Brücken-Donoren
3
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
3
Schwere Atome
7

Experimentelle und physikochemische Eigenschaften

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

Liquid

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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%)

Chemie und Industrie

Verwendung und Herstellung

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

Other (requires additional information)

1,2,4-Butanetriol: ACTIVE

Anbieter1 Anbieter

HONEST JOY HOLDINGS LIMITED[email protected]

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