2-(Oxolan-3-yl)acetic acid

HCID 4244905CAS 138498-97-2

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Grundinformationen

Standard-SMILES: O=C(O)CC1CCOC1
InChIKey: JSWKBJIKVSXWDJ-UHFFFAOYSA-N
Summenformel: C6H10O3
Durchschnittliche Molmasse: 130,14 g/mol
Monoisotopische Masse: 130,06299418

Namen und Bezeichner

Bevorzugter Name: 2-(Oxolan-3-yl)acetic acid
IUPAC: 2-(oxolan-3-yl)acetic acid
Englischer Name: (Tetrahydro-furan-3-yl)-acetic acid
Summenformel: C6H10O3
Molmasse: 130.14

Namen und Synonyme

2-(oxolan-3-yl)acetic AcidRefChem:461704837-930-9138498-97-22-(tetrahydrofuran-3-yl)acetic acid(TETRAHYDROFURAN-3-YL)ACETIC ACID(Tetrahydro-furan-3-yl)-acetic acid3-FURANACETIC ACID, TETRAHYDRO-MFCD06411265Tetrahydro-3-furanacetic acid(Oxolan-3-yl)acetic acidtetrahydrofuran-3-ylacetic acid

Weitere Namen anzeigen

TETRAHYDRO-3-FURANYLACETICACID2,4-triazol-2-(tetrahydrofuran-3-yl)acetic acid3-yl)methanamine

2-tetrahydrofuran-3-ylacetic acid2-(tetrahydrofuran-3-yl)aceticacidtetrahydro-3-furylacetic acidSCHEMBL628315SCHEMBL21541634DTXSID60401155JSWKBJIKVSXWDJ-UHFFFAOYSA-N(Tetrahydrofuran-3-yl)-acetic acid

Datenbank-Bezeichner

CAS: 138498-97-2
PubChem CID: 4244905
DTXSID: DTXSID60401155
EC Number: 837-930-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0
Polarare Oberfläche (TPSA): 46,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 9
Formalladung: 0
Komplexität: 111

Physikochemische Eigenschaften

Siedepunkt: 271.4 · 271.4±13.0 °C(Predicted)
Dichte: 1.162 · 1.162±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 4.58 · 4.58±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；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.