3-Hydroxybutyrolactone, (3S)-

HCID 7269389CAS 7331-52-4

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Grundinformationen

Standard-SMILES: O=C1C[C@H](O)CO1
InChIKey: FUDDLSHBRSNCBV-VKHMYHEASA-N
Summenformel: C4H6O3
Durchschnittliche Molmasse: 102,09 g/mol
Monoisotopische Masse: 102,03169405

Namen und Bezeichner

Bevorzugter Name: 3-Hydroxybutyrolactone, (3S)-
IUPAC: (4S)-4-hydroxyoxolan-2-one
Englischer Name: (S)-3-Hydroxy-gamma-butyrolactone
Summenformel: C4H6O3
Molmasse: 102.09

Namen und Synonyme

7331-52-4(S)-3-Hydroxy-gamma-butyrolactone(4S)-4-hydroxyoxolan-2-one(S)-beta-Hydroxy-gamma-butyrolactone3-Hydroxybutyrolactone, (3S)-2(3H)-Furanone, dihydro-4-hydroxy-, (4S)-2LIE7314JHDTXSID60428483EC 434-990-43-HYDROXYBUTYROLACTONE, (-)-(S)-3-HYDROXY-.GAMMA.-BUTYROLACTONE(S)-.BETA.-HYDROXY-.GAMMA.-BUTYROLACTONE

Weitere Namen anzeigen

(S)-4-Hydroxydihydrofuran-2(3H)-one(s)-(-)-á-hydroxy--4-Hydroxydihydrofuran-2(3H)(S)-3-Hydroxy-γ-butyrolactone(S)-(-)-3-HYDROXYBUTYROLACTONE(S)-(-)-3-HYDROXY-GAMMA-BUTYROLACTONE2(3H)-FURANONE, DIHYDRO-4-HYDROXY-, (S)2(3H)-FURANONE, DIHYDRO-3-HYDROXY-, (S)(S)-3-Hydroxy-gamma-Levetiracetam Impurity 65

(S)-(-)-.BETA.-HYDROXY-.GAMMA.-BUTYROLACTONEBUTYRIC ACID, 3,4-DIHYDROXY-, .GAMMA.-LACTONE, D-GLYCERO-RefChem:502537DTXCID30379317(s)-(-)-beta-hydroxy-gamma-butyrolactoneBUTYRIC ACID, 3,4-DIHYDROXY-, GAMMA-LACTONE, D-GLYCERO-434-990-4623-293-2

Datenbank-Bezeichner

CAS: 7331-52-4
PubChem CID: 7269389
DTXSID: DTXSID60428483
UNII: 2LIE7314JH
EC Number: 434-990-4、623-293-2
Nikkaji: J517.046J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,8
Polarare Oberfläche (TPSA): 46,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 88,9

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesChemical shift

Physikochemische Eigenschaften

Siedepunkt: 98 · 98-100 °C0.3 mm Hg(lit.)
Dichte: 1.241 g/mL · 1.241 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.464(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · Inert atmosphere,2-8°C
pka: 12.87 · 12.87±0.20(Predicted)
Wasserlöslichkeit: Miscible with water, alcohol and other organic solvent. Immiscible with light petroleum.
BRN: 1280864 · 1280864
InChI: InChI=1S/C4H6O3/c5-3-1-4(6)7-2-3/h3,5H,1-2H2/t3-/m0/s1
InChIKey: FUDDLSHBRSNCBV-VKHMYHEASA-N
SMILES: O1C[C@@H](O)CC1=O
CAS Datenbank: 7331 · 7331-52-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H317: May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Warning

H315 (95.7%): 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)