Grundinformationen
- Standard-SMILES
C[C@@H](O)CO- InChIKey
DNIAPMSPPWPWGF-GSVOUGTGSA-N- Summenformel
- C3H8O2
- Durchschnittliche Molmasse
- 76,09 g/mol
- Monoisotopische Masse
- 76,0524295
Überblick
(R)-propane-1,2-diol is a propane-1,2-diol. It has a role as an Escherichia coli metabolite and a human metabolite. It is an enantiomer of a (S)-propane-1,2-diol.
Namen und Bezeichner
- Bevorzugter Name
- R-(-)-1,2-Propanediol
- IUPAC
- (2R)-propane-1,2-diol
- Englischer Name
- (R)-(-)-1,2-Propanediol
- Summenformel
- C3H8O2
- Molmasse
- 76.09
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
4254-14-2- PubChem CID
- 259994
- DTXSID
DTXSID201009429- ChEBI
CHEBI:28972- UNII
- 602HN5L69H
- EC Number
- 610-038-5
- Nikkaji
- J9.257F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,9
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 5
- Formalladung
- 0
- Komplexität
- 20,9
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- -57 C · -57C
- Siedepunkt
- 186 · 186-188 °C765 mm Hg(lit.)
- Dichte
- 1.04 g/mL · 1.04 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.434(lit.)
- Flammpunkt
- 225 °F · 225 °F
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- Miscible with acetone, chloroform, ethanol (95%), glycerin, and water; soluble at 1 in 6 parts of ether; not miscible with light mineral oil or fixed oils, but will dissolve some essential oils.
- pka
- 14.49 · 14.49±0.20(Predicted)
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Light orange to Yellow
- Wichte
- 1.036 · 1.036
- Merck
- 14 · 14,7855
- BRN
- 1718872 · 1718872
- InChI
- 1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1
- InChIKey
- DNIAPMSPPWPWGF-GSVOUGTGSA-N
- SMILES
- C[C@@H](O)CO
- CAS Datenbank
- 4254 · 4254-14-2(CAS DataBase Reference)
- NIST chemische Informationen
- -1 · R-(-)-1,2-propanediol(4254-14-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 28.6% (2 of 7) of reports.
Warning
H315 (14.3%): 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 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- F
- 3
- wgk
- 1
- hs_code
- 29053200
- risk_code
- 20-65-15-10
- hazard_code
- F,Xn
- safety_code
- 24/25-43-7/8
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Liquids that dissolve other substances (solutes), generally solids, without any change in chemical composition, as, water containing sugar. (Grant & Hackh's Chemical Dictionary, 5th ed)
A carrier or inert medium used as a solvent (or diluent) in which the medicinally active agent is formulated and or administered. (Dictionary of Pharmacy, 1986)
Anwendungen
VerwendenR-(-)-1,2-Propanediol, is a chiral building blocks that can be used for variety of chemical synthesis.
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