부탄-1,2,4-트리올

1,2,4-Butanetriol

HCID 178531173CAS 6810-31-7

기본 정보

표준 SMILES: OCCC(O)CO
InChIKey: ARXKVVRQIIOZGF-UHFFFAOYSA-N
분자식: C4H10O3
평균 분자량: 106.12 g/mol

개요

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.

이름 및 식별자

우선 이름: 1,2,4-Butanetriol
IUPAC: butane-1,2,4-triol
현지명: 부탄-1,2,4-트리올
영어명: butane-1,2,4-triol
분자식: C4H10O3
분자량: 0

이름 및 동의어

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

이름 더 보기

부탄-1,2,4-트리올

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -1.4
극성 표면적: 60.7 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 7
형식 전하: 0
복잡도: 37.9

실험 및 물리화학적 성질

PolymersOther Classes -> Alcohols and Polyols, Other

Physical Description · 2건

Liquid

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

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 2건

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%)

화학 및 산업

용도 및 제조

U.S. Production2023: <50,000 lb

Industry UsesOther

General Manufacturing Information · 2건

Other (requires additional information)

1,2,4-Butanetriol: ACTIVE

공급사1 곳

HONEST JOY HOLDINGS LIMITED[email protected]

연결된 노트

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