2-((4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid

HCID 10844960

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Grundinformationen

CAS: 113278-68-5
Standard-SMILES: CC1(C)OC(=O)[C@@H](CC(=O)O)O1
InChIKey: IDQOCLIWDMZKBZ-SCSAIBSYSA-N
Summenformel: C7H10O5
Durchschnittliche Molmasse: 174,15 g/mol
Monoisotopische Masse: 174,05282342

Namen und Bezeichner

Bevorzugter Name: 2-((4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid
IUPAC: 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid
Englischer Name: (R)-(-)-2,2-Dimethyl-5-oxo-1,3-dioxolane-4-acetic acid
Summenformel: C7H10O5
Molmasse: 174.15

Namen und Synonyme

2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid2-((4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acidRefChem:449326627-843-2113278-68-5[(4R)-2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic acid(R)-2-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid(R)-(-)-2,2-Dimethyl-5-oxo-1,3-dioxolane-4-acetic acidMFCD00211272(r)-2,2-dimethyl-5-oxo-1,3-dioxolane-4-acetic acidAKOS015893968AT10699

Weitere Namen anzeigen

(R)-2,2-DiMethyl-5-oxo-(R)-(-)-2,2-dimethyl-5-oxo-1,3-dioxolane-4-acetic[(R)-2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic Acid(R)-(-)-2,2-Dimethyl-5-oxo-1,3-dioxalone-4-acetic acid1,3-Dioxolane-4-acetic acid, 2,2-dimethyl-5-oxo-, (4R)-

BS-51226EN300-7466912-((R)-2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic acid(R)-2,2-Dimethyl-5-oxo-1,3-dioxolane-4-acetic Acid; 2-((R)-2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)acetic Acid; [(R)-2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl]acetic Acid;SCHEMBL473047DTXSID70445646SBB053468SY293608

Datenbank-Bezeichner

CAS: 113278-68-5
PubChem CID: 10844960
DTXSID: DTXSID70445646
EC Number: 627-843-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0
Polarare Oberfläche (TPSA): 72,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 220

Physikochemische Eigenschaften

Schmelzpunkt: 95 · 95-98°C
Siedepunkt: 341.4 · 341.4±17.0 °C(Predicted)
Dichte: 1.262 · 1.262±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Dichloromethane, Ethyl Acetate, Methanol
Aggregatzustand: Solid
pka: 3.96 · 3.96±0.10(Predicted)
Farbe: Off-White
InChI: 1S/C7H10O5/c1-7(2)11-4(3-5(8)9)6(10)12-7/h4H,3H2,1-2H3,(H,8,9)/t4-/m1/s1
InChIKey: IDQOCLIWDMZKBZ-SCSAIBSYSA-N
SMILES: CC1(C)O[C@H](CC(O)=O)C(=O)O1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.