CAS 453-20-3 3-Furanol, tetrahydro- (HCID 9960)

Names & identifiers

Preferred name: 3-Furanol, tetrahydro-
IUPAC: oxolan-3-ol
English name: 3-Hydroxytetrahydrofuran
Molecular formula: C4H8O2
Molecular weight: 88.11

Names & synonyms

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

Show more names

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

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

Database identifiers

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

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 6
Formal charge: 0
Complexity: 44.8

Experimental & physicochemical properties

PolymersOther Classes -> Alcohols and Polyols, Other

Physical DescriptionColorless liquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: 25 °C · 25°C
Boiling point: 181 °C · 181 °C (lit.)
Density: 1.09 g/mL · 1.09 g/mL at 25 °C (lit.)
vapor pressure: 760 mm · 760 mm Hg ( 181 °C)
refractive index: 20 · n20/D 1.45(lit.)
Flash point: 178 °F · 178 °F
storage temp.: Sealed in dry,Room Temperature
pka: 14.49 · 14.49±0.20(Predicted)
form: Liquid
color: Clear colorless to yellow
Specific Gravity: 1.09 · 1.090
Water Solubility: 500 g/L · 500g/L(room temperature)
Stability: Stable. Incompatible with strong oxidizing agents, acid chlorides, acid anhydrides.
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)
CAS DataBase Reference: 453 · 453-20-3(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
NIST Chemistry Reference: 3 · Tetrahydrofuran, 3-hydroxy-(453-20-3)
EPA Substance Registry System: 3 · 3-Furanol, tetrahydro- (453-20-3)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38-19
Safety Statements: 26 · 26-36-37/39
WGK Germany: 3 · 3
RTECS: 3450050 · LU3450050
TSCA: TSCA listed
HS Code: 29321900 · 29321900
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 · Eye Irrit. 2

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

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%)

Toxicology

Adverse EffectsNeurotoxin - Other CNS neurotoxin

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
rtecs: LU3450050
hs_code: 29321900
risk_code: 36/37/38-19
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36-37/39
Storage Class: 10 - Combustible liquids
Hazard statements: H319
Hazard Classifications: Eye Irrit. 2
Precautionary statements: P264-P280-P305+P351+P338-P337+P313

Chemistry & industry

Uses & manufacturing

General Manufacturing Information3-Furanol, tetrahydro-: ACTIVE

Applications · 1 item

Uses3-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].