3-Furanol, tetrahydro- (HCID 9960)

이름 및 식별자

우선 이름: 3-Furanol, tetrahydro-
IUPAC: oxolan-3-ol
현지명: 3-히드록시테트라히드로푸란
영어명: 3-Hydroxytetrahydrofuran
분자식: C4H8O2
분자량: 88.11

이름 및 동의어

Tetrahydrofuran-3-ol3-Furanol, tetrahydro-Tetrahydro-3-furanol3-HydroxyoxolaneEINECS 207-219-2NSC 71875BRN 0102545AI3-28120DTXSID208689475-17-03-00064 (Beilstein Handbook Reference)3HydroxyoxolaneTetrahydrofuran3ol

이름 더 보기

3-히드록시테트라히드로푸란tetrahydro-3-furano-Hydroxytetrahydrofuran3-HYDROXYTETRAHYDRAFURAN3-Hydroxytetrahydrofurane3-Hydroxytetrahydrofuran>

3Furanol, tetrahydro3hydroxytetrahydrofuranRefChem:502115DTXCID10817000207-219-23-HYDROXYTETRAHYDROFURAN453-20-3oxolan-3-ol

데이터베이스 식별자

CAS: 453-20-3
PubChem CID: 9960
DTXSID: DTXSID20868947
ChEMBL: CHEMBL2287517
UNII: 4MA8Z6Y28L
EC Number: 207-219-2
Nikkaji: J196.153E

물성

구조 계산 물성

XLogP: -0.4
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 6
형식 전하: 0
복잡도: 44.8

실험 및 물리화학적 성질

PolymersOther Classes -> Alcohols and Polyols, Other

Physical DescriptionColorless liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: 25 °C · 25°C
끓는 점: 181 °C · 181 °C (lit.)
밀도: 1.09 g/mL · 1.09 g/mL at 25 °C (lit.)
증기압: 760 mm · 760 mm Hg ( 181 °C)
굴절률: 20 · n20/D 1.45(lit.)
인화점: 178 °F · 178 °F
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 14.49 · 14.49±0.20(Predicted)
물리적 상태: 액체
색상: 무색~황색으로 투명함
Specific Gravity: 1.09 · 1.090
수용성: 500 g/L · 500g/L(상온)
안정성: 안정적인. 강한 산화제, 산 염화물, 산 무수물과 호환되지 않습니다.
InChI: 1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2
InChIKey: XDPCNPCKDGQBAN-UHFFFAOYSA-N
SMILES: OC1CCOC1
LogP: -0.83 · -0.830 (est)
NIST: 3 · Tetrahydrofuran, 3-hydroxy-(453-20-3)
EPA: 3 · 3-Furanol, tetrahydro- (453-20-3)

화학적 성질

light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (13.3%): 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 45 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryCauses convulsions and ataxia in intravenous lethal-dose studies of mice (LD50 = 3,850 mg/kg); [RTECS] An eye and mild skin irritant; [Sigma-Aldrich MSDS] See Furfuryl alcohol.

Hazard Classes and CategoriesSkin Irrit. 2 (13.3%)

독성 정보

Adverse EffectsNeurotoxin - Other CNS neurotoxin

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: LU3450050
HS 번호: 29321900
risk_code: 36/37/38-19
hazard_code: Xi
safety_code: 26-36-37/39
기존화학 물질: KE-33457
Hazard Classifications: Eye Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing Information3-Furanol, tetrahydro-: ACTIVE

응용 분야 · 1건

용도3-Hydroxytetrahydrofuran features two distinct hydrogen bonding sites. The compound serves as a theoretical model for nucleotide ring conformations and is used in spectroscopic studies, including Fourier transform microwave analysis of its water complex isotopomers[5][6]. For spectroscopic characterization, the material is incorporated into supersonic expansions after warming to 50 °C[5].