Grundinformationen
- Standard-SMILES
CCCCCCC(O)CCC- InChIKey
DTDMYWXTWWFLGJ-UHFFFAOYSA-N- Summenformel
- C10H22O
- Durchschnittliche Molmasse
- 158,28 g/mol
- Monoisotopische Masse
- 158,16706532
Überblick
Decan-4-ol is a secondary alcohol that is decane substituted by a hydroxy group at position 4. It has a role as a mammalian metabolite. It is a decanol and a secondary alcohol.
Namen und Bezeichner
- Bevorzugter Name
- Decan-4-ol
- IUPAC
- decan-4-ol
- Lokaler Name
- Decan-4-ol
- Englischer Name
- 4-Decanol
- Summenformel
- C10H22O
- Molmasse
- 158.28
Namen und Synonyme
4-DECANOLDecan-4-ol2051-31-2EINECS 218-117-2AI3-19949DTXSID00870927NSC 2637RefChem:585354DTXCID60818608218-117-2Hexylpropylcarbinol4-Decyl Alcohol
Weitere Namen anzeigen
Decane-4-ol4-Decanol,99%4-Decanol >4-DECANOL, 97+%
(R)-4-DecanolMFCD000396271-Propylheptyl alcoholDecanol-4NSC-26374-hydroxydecane4-aDecanolNSC2637
Datenbank-Bezeichner
- CAS
2051-31-2- PubChem CID
- 16320
- DTXSID
DTXSID00870927- ChEBI
CHEBI:195602- UNII
- 8EG28W5Z8K
- EC Number
- 218-117-2
- Nikkaji
- J80.381B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,8
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 71,3
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesBoiling point
Physikochemische Eigenschaften
- Schmelzpunkt
- -11.4 °C · -11.4°C
- Siedepunkt
- 210 · 210-211 °C
- Dichte
- 0.82 · 0.82
- Brechungsindex
- 1.431 · 1.431-1.433
- Flammpunkt
- 82 °C · 82 °C
- pka
- 15.44 · 15.44±0.20(Predicted)
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Light yellow
- BRN
- 1735252 · 1735252
- Henry's Law Constant
- 3.8 · 3.8×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
- InChI
- InChI=1S/C10H22O/c1-3-5-6-7-9-10(11)8-4-2/h10-11H,3-9H2,1-2H3
- InChIKey
- DTDMYWXTWWFLGJ-UHFFFAOYSA-N
- SMILES
- CCCC(O)CCCCCC
- LogP
- 3.74 · 3.740 (est)
- CAS Datenbank
- 2051 · 2051-31-2(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Not Classified
Gefahrenhinweise
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Sicherheitsdaten
- ridadr
- UN1993
- hs_code
- 2905.19.9090
- risk_code
- 36/37/38-20/21/22
- hazard_code
- Xn,Xi
- safety_code
- 24/25-37/39-36-26
- hazard_class
- 3
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