Grundinformationen
- Standard-SMILES
OCc1ccoc1- InChIKey
STJIISDMSMJQQK-UHFFFAOYSA-N- Summenformel
- C5H6O2
- Durchschnittliche Molmasse
- 98,1 g/mol
- Monoisotopische Masse
- 98,03677943
Namen und Bezeichner
- Bevorzugter Name
- 3-Furanmethanol
- IUPAC
- furan-3-ylmethanol
- Lokaler Name
- Furan-3-methanol
- Englischer Name
- 3-Furanmethanol
- Summenformel
- C5H6O2
- Molmasse
- 98.1
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
4412-91-3- PubChem CID
- 20449
- DTXSID
DTXSID70196045- ChEMBL
CHEMBL440914- UNII
- 6E4MK4DV6C
- EC Number
- 224-570-7
- Nikkaji
- J205.791C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,3
- Polarare Oberfläche (TPSA)
- 33,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 54
Experimentelle und physikochemische Eigenschaften
Kovats Retention Index
835
1649;1655;1684;1670;1679
Physikochemische Eigenschaften
- Siedepunkt
- 79 · 79-80 °C17 mm Hg(lit.)
- Dichte
- 1.139 g/mL · 1.139 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.484(lit.)
- Flammpunkt
- 101 °F · 101 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 14.49 · 14.49±0.10(Predicted)
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless to slightly yellow
- BRN
- 106456 · 106456
- InChI
- InChI=1S/C5H6O2/c6-3-5-1-2-7-4-5/h1-2,4,6H,3H2
- InChIKey
- STJIISDMSMJQQK-UHFFFAOYSA-N
- SMILES
- O1C=CC(CO)=C1
- LogP
- 0.3 · 0.300
- CAS Datenbank
- 4412 · 4412-91-3(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 1987 3/PG 3
- hs_code
- 29321900
- risk_code
- 10-36/37/38
- hazard_code
- Xi,F
- safety_code
- 16-26-36/37/39-36/37
- hazard_class
- 3.2
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden3-Furanmethanol can be used in methods to support gastrointestinal homeostasis.
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