Grundinformationen
- Standard-SMILES
CC(C)C(C)O- InChIKey
MXLMTQWGSQIYOW-UHFFFAOYSA-N- Summenformel
- C5H12O
- Durchschnittliche Molmasse
- 88,15 g/mol
- Monoisotopische Masse
- 88,088815
Namen und Bezeichner
- Bevorzugter Name
- 3-Methyl-2-butanol
- IUPAC
- 3-methylbutan-2-ol
- Englischer Name
- 3-Methyl-2-butanol
- Summenformel
- C5H12O
- Molmasse
- 88.15
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1517-66-4、598-75-4- PubChem CID
- 11732
- DTXSID
DTXSID20862268- ChEMBL
CHEMBL443470- ChEBI
CHEBI:77517- UNII
- 93FF0F303R
- EC Number
- 209-950-2
- Nikkaji
- J43.343H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 32
Experimentelle und physikochemische Eigenschaften
Solubility
56 mg/mL at 25 °C
(in ethanol)
Boiling Point
112.00 to 114.00 °C. @ 760.00 mm Hg
112 °C
Kovats Retention Index
663;668;683;683;668;683;683;690;699;668;683;683;690;699;670;672;666;671;666;666
692.1;652;656;700
1094;1124;1118;1079;1094;1100;1108;1094;1100;1108;1090;1089;1091;1083;1089;1100
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H226 (12.8%): Flammable liquid and vapor [Warning Flammable liquids];H332 (99.2%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (99.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P317, P319, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1475 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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
Regulatory Information
Chemical: 2-Butanol, 3-methyl-
2-Butanol, 3-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Overexposure may cause skin, eye, nose, and throat irritation, headache, dizziness, dyspnea, nausea, and vomiting; [Merck Index] Safe when used as a flavoring agent in food; [JECFA] A respiratory tract irritant; Harmful by inhalation; May defat the skin; [Alfa Aesar MSDS] See 2-Methyl-1-butanol and 2-Methyl-2-butanol.
Sicherheit und Schutzausrüstung
Toxikologische Informationen
Regulatorische Informationen
Regulatory Information
Chemical: 2-Butanol, 3-methyl-
2-Butanol, 3-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Chemie und Industrie
Pharmakologische Informationen
Verwendung und Herstellung
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
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