2-Pentanol
Grundinformationen
- CAS
26184-62-3- Standard-SMILES
CCCC(C)O- InChIKey
JYVLIDXNZAXMDK-UHFFFAOYSA-N- Summenformel
- C5H12O
- Durchschnittliche Molmasse
- 88,15 g/mol
- Monoisotopische Masse
- 88,088815
Überblick
Sec-amyl alcohol appears as a clear colorless liquid with a strong odor. Moderately toxic by ingestion and vapors may irritate skin and eyes. Vapors are heavier than air.
Namen und Bezeichner
- Bevorzugter Name
- 2-Pentanol
- IUPAC
- pentan-2-ol
- Englischer Name
- (S)-(+)-2-Pentanol
- Summenformel
- C5H12O
- Molmasse
- 88.15
Namen und Synonyme
2-PENTANOLPentan-2-ol6032-29-7sec-Amyl alcoholMethylpropylcarbinolsec-Pentyl alcohol2-Pentyl alcohol1-Methyl-1-butanolMethyl propyl carbinol2-HydroxypentanePentanol-2alpha-Methylbutanol
Weitere Namen anzeigen
(S)-2-PENTANOLFEMA 3316(S)-Pentan-2-ol(S)-(-)-2-PENTANOL(+)-2-Pentanol(2S)-2-PentanolS-N-AMYL ALCOHOL(2S)-pentan-2-ol
1-Methylbutanolsec-n-Amyl alcoholIsoamyl alcohol, secondaryFEMA No. 3316DL-2-PentanolDTXSID3052721CHEBI:7751804G7050365
Datenbank-Bezeichner
- CAS
26184-62-3、26635-63-2、31087-44-2、50858-14-5、51000-78-3、584-02-1、6032-29-7- PubChem CID
- 22386
- DTXSID
DTXSID3052721- ChEMBL
CHEMBL45065- ChEBI
CHEBI:77518- UNII
- 04G7050365
- EC Number
- 227-907-6、256-810-1
- Nikkaji
- J9.802G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 27,1
Experimentelle und physikochemische Eigenschaften
Chemical ClassesFlammable agents - 3rd degree
SolventsSolvents -> Alcohols (<C12)
FragrancesFragrance Ingredient (2-Pentanol) -> IFRA transparency List
LogP
1.19
1.25
1.34
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density
0.82 (NIOSH, 2024) - Less dense than water; will float
Relative density (water = 1): 0.8
0.802-0.808
0.82
Flavoring AgentsEU Flavoring substances
Viscosity5.3 mm²/s at 20 °C
Solubility
44.6 mg/mL at 25 °C
Solubility in water, g/100ml at 20 °C: 16.6 (good)
very soluble in water; soluble in alcohol and ether
(in ethanol)
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
This chemical does not meet GHS hazard criteria for 0.6% (11 of 1753) of reports.
Warning
H226 (99.3%): Flammable liquid and vapor [Warning Flammable liquids]
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 1753 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Gefahrenhinweise
Regulatory Information
Chemical: 2-Pentanol
Regulation (EC) No 1831/2003 (amended)
2-Pentanol: HSNO Approval: HSR001417 Approved with controls
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelFlammable Liquid
Fire Hazards
Excerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Flammable. Above 33 °C explosive vapour/air mixtures may be formed.
Health HazardsExcerpt from NIOSH Pocket Guide for Isoamyl alcohol (secondary):
Hazards Summary
An eye, nose, and throat irritant; [Hawley] An eye and respiratory tract irritant; Narcotic effects; [Merck Index] A skin, eye, nose, and throat irritant; [CAMEO] A skin, eye, nose, and throat irritant; Inhalation of high concentrations can cause CNS depression; [CHEMINFO] A skin and eye irritant; [eChemPortal: ERMA] An irritant; Chronic exposure may cause injury to CNS, kidneys, and lungs; [MSDSonline]
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
Uses
Used as solvent for paints and lacquers and to make drugs; [Hawley] Used to make catalyst systems and methanol; Also used as a solvent for primers and for extracting 2-hydroxy-4-methylthiobutyric acid; [CHEMINFO]
Painting (Solvents) [Category: Paint]
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information2-Pentanol: ACTIVE
Anwendungen
Verwenden(S)-(+)-2-Pentanol is a building block used in the synthesis of highly ptent and selective intranasal toll-like receptor 7 agonists for treating asthma.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
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