Grundinformationen
- CAS
600-36-2- Standard-SMILES
CC(C)C(O)C(C)C- InChIKey
BAYAKMPRFGNNFW-UHFFFAOYSA-N- Summenformel
- C7H16O
- Durchschnittliche Molmasse
- 116,2 g/mol
- Monoisotopische Masse
- 116,12011513
Namen und Bezeichner
- Bevorzugter Name
- 2,4-Dimethyl-3-pentanol
- IUPAC
- 2,4-dimethylpentan-3-ol
- Lokaler Name
- 2,4-Dimethylpentan-3-ol
- Englischer Name
- 2,4-Dimethyl-3-pentanol
- Summenformel
- C7H16O
- Molmasse
- 116.2
Namen und Synonyme
2,4-DIMETHYL-3-PENTANOL2,4-Dimethylpentan-3-olDiisopropylcarbinolDiisopropylmethanol3-Pentanol, 2,4-dimethyl-2,4-Dimethyl-3-hydroxypentaneNSC 8696EINECS 209-993-7UNII-N54K81P01FN54K81P01FNSC-8696DIISOPROPYLMETHYL ALCOHOL
Weitere Namen anzeigen
2,4-dimethyl-3-pentano2-4-Dimethyl-pentanol-32,4-dimethylpentyl-3-ol2,4-dimethyl-pentan-3-ol2,4-Dimethylpentane-3-ol
DTXSID90220752,4-DIMETHYL-3-PENTYL ALCOHOL2,4Dimethylpentan3olRefChem:825053Pentanol, 2,4dimethyl2,4Dimethyl3hydroxypentaneDTXCID302075UN1987
Datenbank-Bezeichner
- CAS
600-36-2- PubChem CID
- 11752
- DTXSID
DTXSID9022075- ChEMBL
CHEMBL2260956- UNII
- N54K81P01F
- EC Number
- 209-993-7
- Nikkaji
- J95.491H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 49,4
Experimentelle und physikochemische Eigenschaften
SolventsSolvents -> Alcohols (<C12)
SpringerMaterials PropertiesBoiling point
LogP2.31
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -70 °C · -70°C
- Siedepunkt
- 139 · 139-140 °C (lit.)
- Dichte
- 0.829 g/mL · 0.829 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.425(lit.)
- Flammpunkt
- 99 °F · 99 °F
- storage temp.
- Store at room temperature
- pka
- 15.04 · 15.04±0.20(Predicted)
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Almost colorless
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information2,4-Dimethyl-3-pentanol: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes optic nerve neuropathy in 26-week intermittent inhalation studies (mammal species not specified); Causes other degenerative changes in brain and other changes in liver and kidney in 26-week intermittent oral studies of rabbits; [RTECS] An irritant; [Alfa Aesar MSDS] See Methyl alcohol.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Toxikologische Informationen
Adverse EffectsNeurotoxin - Other CNS neurotoxin
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1987 3/PG 3
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information3-Pentanol, 2,4-dimethyl-: ACTIVE
Anwendungen
Verwenden2,4-Dimethyl-3-pentanol was used as a proton source in the diastereoselective coupling with 2-substituted acrylate derivatives. It was used in the polymerization of 1,1′-(1,3-phenylene) diethanol (1,3-diol) and diisopropyl adipate.
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