(R)-Solketal

HCID 736056CAS 14347-78-5

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Grundinformationen

Standard-SMILES: CC1(C)OC[C@@H](CO)O1
InChIKey: RNVYQYLELCKWAN-RXMQYKEDSA-N
Summenformel: C6H12O3
Durchschnittliche Molmasse: 132,16 g/mol
Monoisotopische Masse: 132,07864424

Überblick

See also: 1,3-Dioxolane-4-methanol, 2,2-dimethyl-, (4R)- (annotation moved to).

Namen und Bezeichner

Bevorzugter Name: (R)-Solketal
IUPAC: [(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
Englischer Name: (R)-(-)-2,2-Dimethyl-1,3-dioxolane-4-methanol
Summenformel: C6H12O3
Molmasse: 132.16

Namen und Synonyme

(R)-(-)-2,2-Dimethyl-1,3-dioxolane-4-methanol(R)-SolketalDTXSID501317906RefChem:407449DTXCID701747701604-360-514347-78-5(R)-(2,2-dimethyl-1,3-dioxolan-4-yl)methanol[(4r)-2,2-dimethyl-1,3-dioxolan-4-yl]methanolD-Acetone glycerolMFCD00003213(r)-2,2-dimethyl-1,3-dioxolane-4-methanol

Weitere Namen anzeigen

(R)-(-)-SOLKETAL(R)-(-)-1,2-Isopropylideneglycerol(R)-2,2-DIMETHYL 4-HYDROXYMETHYL-1,3-DIOXOLANE(R)-(-)-2,2-Dimethyl-1,3-dioxolane-4-methanol, L-α,β-Isopropylideneglycerol2,3-Isopropylidene-sn-glycerol, L-α,β-Isopropylideneglycerol, L-2,3-O-isopropylidene-sn-glycerolR-Glycerolane-4-methanoLR-(-)-Sollketal

AKOS005257631(r)-(-)-1,2-o-isopropylideneglycerolD17051,3-Dioxolane-4-methanol, 2,2-dimethyl-, (R)-(R)-(-)-(2,2-dimethyl-1,3-dioxolan-4-yl)methanol((4R)-2,2-dimethyl-1,3-dioxolan-4-yl)methanolL-(-)-1,2-Isopropylideneglycerolr-glycerol acetonide

Datenbank-Bezeichner

CAS: 14347-78-5
PubChem CID: 736056
DTXSID: DTXSID501317906
EC Number: 604-360-5
Nikkaji: J208.404J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,2
Polarare Oberfläche (TPSA): 38,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 100

Physikochemische Eigenschaften

Siedepunkt: 72 · 72-73 °C/8 mmHg (lit.)
Dichte: 1.062 g/mL · 1.062 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.434
Flammpunkt: 176 °F · 176 °F
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Liquid
pka: 14.2 · 14.20±0.10(Predicted)
Farbe: Clear colorless to light yellow
Wichte: 1.062 · 1.062
Wasserlöslichkeit: miscible
Merck: 14 · 14,5213
BRN: 80117 · 80117
Stabilität: Stable. Incompatible with strong oxidizing agents.
InChI: 1S/C6H12O3/c1-6(2)8-4-5(3-7)9-6/h5,7H,3-4H2,1-2H3/t5-/m1/s1
InChIKey: RNVYQYLELCKWAN-RXMQYKEDSA-N
SMILES: CC1(C)OC[C@@H](CO)O1
CAS Datenbank: 14347 · 14347-78-5(CAS DataBase Reference)
NIST chemische Informationen: D-Acetone glycerol(14347-78-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 60% (3 of 5) of all reports.

Warning

H227 (20%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.