5-하이드록시-4-메틸-2(5H)푸라논

2(5H)-Furanone, 5-hydroxy-4-methyl-

HCID 115301CAS 40834-42-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1=CC(=O)OC1O
InChIKey: XRNPHZPFAWLRNJ-UHFFFAOYSA-N
분자식: C5H6O3
평균 분자량: 114.1 g/mol
단동위원소 질량: 114.03169405

이름 및 식별자

우선 이름: 2(5H)-Furanone, 5-hydroxy-4-methyl-
IUPAC: 2-hydroxy-3-methyl-2H-furan-5-one
현지명: 5-하이드록시-4-메틸-2(5H)푸라논
영어명: 5-Hydroxy-4-methyl-2(5H)furanone
분자식: C5H6O3
분자량: 114.1

이름 및 동의어

5-Hydroxy-4-methyl-2(5H)-furanone5-hydroxy-4-methyl-2,5-dihydrofuran-2-one2(5H)-Furanone, 5-hydroxy-4-methyl-4-Methyl-5-hydroxy-2(5H)-furanoneEC 609-869-65-hydroxy-4-methyl-2[5H]-furanoneRefChem:439911609-869-640834-42-25-hydroxy-4-methylfuran-2(5H)-one5-HYDROXY-4-METHYL-2(5H)FURANONE2-hydroxy-3-methyl-2H-furan-5-one

이름 더 보기

5-하이드록시-4-메틸-2(5H)푸라논Isotretinoin Ring5-hydroxy-4-methly-2(5H)5-HYDROXYDODECANOIC LACTONEγ-Hydroxy-β-Methylbutenolide5-TYDROXY-4-METHYL-1-FURANONE5-Hydroxy-4-Methyl-2(5H)-Furan-Hydroxy-4-Methyl-2(5H)Furanone5-hyrdoxy-4-methyl-2(5H)furanone

MFCD077820865-Hydroxy-4-methyl-5H-furan-2-oneSCHEMBL363396DTXSID30961251XRNPHZPFAWLRNJ-UHFFFAOYSA-NAC-505GEO-030475-Hydroxy-4-methyl 2(5H) furanone

데이터베이스 식별자

CAS: 40834-42-2
PubChem CID: 115301
DTXSID: DTXSID30961251
EC Number: 609-869-6
Nikkaji: J407.526I

물성

구조 계산 물성

XLogP: -0.4
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 148

물리화학적 성질

끓는 점: 113 °C · 113 °C(Press: 0.05 Torr)
밀도: 1.349 · 1.349±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: DMSO, 메탄올(약간 용해됨)
물리적 상태: 노란색에서 진한 노란색까지
산도 계수 (pKa): 10.04 · 10.04±0.40(Predicted)
InChI: InChI=1S/C5H6O3/c1-3-2-4(6)8-5(3)7/h2,5,7H,1H3
InChIKey: XRNPHZPFAWLRNJ-UHFFFAOYSA-N
SMILES: O1C(O)C(C)=CC1=O

화학적 성질

Brownish Yellow Semi Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 108 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 25-08-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16329

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호: 2932190090

화학 및 산업

응용 분야

용도5-Hydroxy-4-methyl-2(5H)-furanone is a non-halogenated furanone used in studies to verify the mutagenicity of halogen substituted furanones.

상·하류 제품 정보

상류 원료

하류 제품

5-하이드록시-3-메틸-2(5H)-푸라논 ZELWYCSDHIFMOP-HAPIZUAHSA-N

공급사50 곳

山东玖玥生物科技有限公司15553333686

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

济南昕维医药科技有限公司18354101831 13305414159

연결된 노트

불러오는 중…