Furan-2,5-diyldimethanol

2,5-Furandimethanol

HCID 74663CAS 1883-75-6

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Grundinformationen

Standard-SMILES: OCc1ccc(CO)o1
InChIKey: DSLRVRBSNLHVBH-UHFFFAOYSA-N
Summenformel: C6H8O3
Durchschnittliche Molmasse: 128,13 g/mol
Monoisotopische Masse: 128,04734412

Überblick

2,5-furandimethanol is a furan carrying two hydroxymethyl substituents at the 2- and 5-positions. It is a diol and a member of furans.

Namen und Bezeichner

Bevorzugter Name: 2,5-Furandimethanol
IUPAC: [5-(hydroxymethyl)furan-2-yl]methanol
Lokaler Name: Furan-2,5-diyldimethanol
Englischer Name: 2,5-Furandimethanol
Summenformel: C6H8O3
Molmasse: 128.13

Namen und Synonyme

2,5-FURANDIMETHANOL1883-75-6Furan-2,5-diyldimethanol2,5-Bis(hydroxymethyl)furan[5-(hydroxymethyl)furan-2-yl]methanol2,5-Di(hydroxymethyl)furan4XE4JYN4G7CHEBI:59984NSC-40737NSC-524614DTXSID2062036(5-(hydroxymethyl)furan-2-yl)methanol

Weitere Namen anzeigen

2,5-dihydroxymethylfuranNSC 40737FaRez 6305NSC 5246145-FurandimethanolRARECHEM AL BD 00122,5-Furanbismethanol

RefChem:444680DTXCID6035948217-544-1BHMF5-(Hydroxymethyl)furfuryl AlcoholMFCD000032535-(Hydroxymethyl)furfurylalcoholfuran-2,5-dimethanol

Datenbank-Bezeichner

CAS: 1883-75-6
PubChem CID: 74663
DTXSID: DTXSID2062036
ChEMBL: CHEMBL4303433
ChEBI: CHEBI:59984
UNII: 4XE4JYN4G7
EC Number: 217-544-1
Nikkaji: J199.705J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,7
Polarare Oberfläche (TPSA): 53,6 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 9
Formalladung: 0
Komplexität: 74,4

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Other Organic Compounds

Physical DescriptionSolid; [Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 74 · 74-77 °C
Siedepunkt: 275 °C · 275 °C
Dichte: 1.283 · 1.283
Flammpunkt: 120 °C · 120 °C
storage temp.: 2 · Sealed in dry,2-8°C
Löslichkeit: Acetonitrile (Slightly), DMSO (Slightly)
Aggregatzustand: Solid
pka: 13.74 · 13.74±0.10(Predicted)
Farbe: Off-White to Light Yellow
InChI: InChI=1S/C6H8O3/c7-3-5-1-2-6(4-8)9-5/h1-2,7-8H,3-4H2
InChIKey: DSLRVRBSNLHVBH-UHFFFAOYSA-N
SMILES: O1C(CO)=CC=C1CO
LogP: -1.326 · -1.326 (est)
EPA chemische Informationen: 2 · 2,5-Furandimethanol (1883-75-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.

Warning

H302 (60%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

2,5-Furandimethanol: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn eye irritant; [Aldrich MSDS] See Furan and Methyl alcohol.

Hazard Classes and CategoriesAcute Tox. 4 (60%)

Sicherheitsdaten

tsca: TSCA listed
hs_code: 29321900
safety_code: 24/25

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information2,5-Furandimethanol: ACTIVE

Anwendungen · 2 Einträge

Beschreibung5-(Hydroxymethyl)furfuryl alcohol is a heterocyclic organic compound that is naturally produced by certain wood-inhabiting fungi. It can be derived by the reduction of the formyl group of 5-hydroxymethylfurfural. 5-(Hydroxymethyl)furfuryl alcohol can be used as a building block in the enzymatic synthesis of biobased polyesters.

Verwenden5-(Hydroxymethyl)furfuryl Alcohol is a secondary metabolite of Xylaramide, a new antifungal compound.