1,2,4-Butanetriol

HCID 178531173CAS 6810-31-7

基本情報

標準SMILES: OCCC(O)CO
InChIKey: ARXKVVRQIIOZGF-UHFFFAOYSA-N
分子式: C4H10O3
平均分子量: 106.12 g/mol

概要

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.

名称と識別子

優先名称: 1,2,4-Butanetriol
IUPAC: butane-1,2,4-triol
英語名: butane-1,2,4-triol
分子式: C4H10O3
分子量: 0

名称と別名

1,2,4-BUTANETRIOL3068-00-62-Deoxyerythritol1,2,4-Trihydroxybutane1,3,4-ButanetriolTriol 1241,2,4-ButantriolDTXSID8044416NK798C370HNSC-60197DTXCID6024416CHEBI:88063

名称をさらに表示

RefChem:71515221-323-5Butane-1,2,4-Triol(+/-)-1,2,4-ButanetriolMFCD00002929C4H10O3( inverted exclamation markA)-1,2,4-Butanetriol1,2,4-Butantriol [German]

データベース識別子

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

物性

構造計算による物性

XLogP: -1.4
極性表面積: 60.7 Å²
水素結合供与体数: 3
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 7
形式電荷: 0
複雑度: 37.9

実験および物理化学的性質

PolymersOther Classes -> Alcohols and Polyols, Other

Physical Description · 2 件

Liquid

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

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 2 件

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%)

化学と産業

用途と製造

U.S. Production2023: <50,000 lb

Industry UsesOther

General Manufacturing Information · 2 件

Other (requires additional information)

1,2,4-Butanetriol: ACTIVE

サプライヤー1 社

HONEST JOY HOLDINGS LIMITED[email protected]