Grundinformationen
- Standard-SMILES
O=C1OCCC1O- InChIKey
FWIBCWKHNZBDLS-UHFFFAOYSA-N- Summenformel
- C4H6O3
- Durchschnittliche Molmasse
- 102,09 g/mol
- Monoisotopische Masse
- 102,03169405
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- alpha-Hydroxy-gamma-butyrolactone
- IUPAC
- 3-hydroxyoxolan-2-one
- Englischer Name
- ALPHA-HYDROXY-GAMMA-BUTYROLACTONE
- Summenformel
- C4H6O3
- Molmasse
- 102.09
Namen und Synonyme
19444-84-9alpha-Hydroxy-gamma-butyrolactone2-Hydroxy-gamma-butyrolactoneL5D4QZ05QR2(3H)-Furanone, dihydro-3-hydroxy-RefChem:87481692-561-93-Hydroxydihydrofuran-2(3H)-one3-hydroxyoxolan-2-one3-Hydroxytetrahydrofuran-2-one2(3H)-Furanone, dihydrohydroxy-MFCD00134268
Weitere Namen anzeigen
2-Hydroxytetrahydrofuran-2-oneAKOS 224Empagliflozin-C-13-Hydroxyoxolane-2-one2-Hydroxybutyrolactone.Alpha-hydroxybutylactonea-Hydroxy-g-butyrolactone
a-Hydroxy-?-butyrolactoneDihydro-3-hydroxy-2(3H)-furanone2-hydroxybutyrolactoneEC 692-561-93-hydroxydihydrofuran-2-one?-Hydroxy-?-butyrolactoneUNII-L5D4QZ05QRDTXSID00941181
Datenbank-Bezeichner
- CAS
19444-84-9- PubChem CID
- 545831
- DTXSID
DTXSID00941181- UNII
- L5D4QZ05QR
- EC Number
- 692-561-9
- Nikkaji
- J383.007A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,4
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 88,9
Physikochemische Eigenschaften
- Siedepunkt
- 133 °C/10 · 133 °C/10 mmHg (lit.)
- Dichte
- 1.309 g/mL · 1.309 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.468(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- Chloroform (Sparingly), Methanol (Slightly)
- pka
- 13.07 · 13.07±0.20(Predicted)
- Aggregatzustand
- Viscous Liquid
- Farbe
- Clear colorless to yellow
- BRN
- 80587 · 80587
- InChI
- InChI=1S/C4H6O3/c5-3-1-2-7-4(3)6/h3,5H,1-2H2
- InChIKey
- FWIBCWKHNZBDLS-UHFFFAOYSA-N
- SMILES
- O1CCC(O)C1=O
- LogP
- -1.83 · -1.830 (est)
- CAS Datenbank
- 19444 · 19444-84-9(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 17-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/12782
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- F
- 3-10
- wgk
- 3
- hs_code
- 29322090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 23-24/25-36-26
- Speicherklasse
- 10 - Combustible liquids
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