Grundinformationen
- Standard-SMILES
CC(=O)CCCO- InChIKey
JSHPTIGHEWEXRW-UHFFFAOYSA-N- Summenformel
- C5H10O2
- Durchschnittliche Molmasse
- 102,13 g/mol
- Monoisotopische Masse
- 102,06807956
Namen und Bezeichner
- Bevorzugter Name
- 5-Hydroxy-2-pentanone
- IUPAC
- 5-hydroxypentan-2-one
- Lokaler Name
- 5-Hydroxypentan-2-on
- Englischer Name
- 3-Acetyl-1-propanol
- Summenformel
- C5H10O2
- Molmasse
- 102.13
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1071-73-4- PubChem CID
- 14066
- DTXSID
DTXSID30147917- ChEBI
CHEBI:195472- EC Number
- 213-994-8
- Nikkaji
- J35.474K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,4
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 59
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 2.5 °C · 2.5°C (estimate)
- Siedepunkt
- 144 · 144-145 °C/100 mmHg (lit.)
- Dichte
- 1.007 g/mL · 1.007 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.437(lit.)
- Flammpunkt
- 200 °F · 200 °F
- storage temp.
- 2 · 2-8°C
- pka
- 14.89 · 14.89±0.10(Predicted)
- Aggregatzustand
- Liquid
- Farbe
- Colorless to Light yellow to Light orange
- InChI
- InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h6H,2-4H2,1H3
- InChIKey
- JSHPTIGHEWEXRW-UHFFFAOYSA-N
- SMILES
- CC(=O)CCCO
- LogP
- -0.57 · -0.570 (est)
- CAS Datenbank
- 1071 · 1071-73-4(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · 2-Pentanone, 5-hydroxy-(1071-73-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 97.3% (72 of 74) of all reports.
Not Classified;Reported as not meeting GHS hazard criteria by 72 of 74 companies (only 2.7% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 74 reports by companies from 2 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 72 of 74 reports by companies.;There is 1 notification provided by 2 of 74 reports by companies with hazard statement code(s).;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.
Gefahrenhinweise
Hazards Summary
Causes diffuse hepatitis and somnolence in oral lethal-dose studies of mice; Causes abnormal liver function tests, changes in recordings from peripheral motor nerve, weight loss, degenerative changes to brain, and optic nerve neuropathy in repeated-dose inhalation studies of rats; [RTECS] May cause irritation; [Sigma-Aldrich MSDS] See Diacetone alcohol.
Toxikologische Informationen
Sicherheitsdaten
- wgk
- 2
- hs_code
- 29144000
- RTECS-Nr.
- UA4600000
- risk_code
- 36/37/38
- Toxizität
- LD50 orl-rat: 6400 mg/k TNICS* 13,118,73
- hazard_code
- Xi
- safety_code
- 37/39-26
- Speicherklasse
- 10 - Combustible liquids
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