Grundinformationen
- Standard-SMILES
CCCCCCCCCCC(C)O- InChIKey
XSWSEQPWKOWORN-UHFFFAOYSA-N- Summenformel
- C12H26O
- Durchschnittliche Molmasse
- 186,33 g/mol
- Monoisotopische Masse
- 186,19836545
Überblick
Dodecan-2-ol is a secondary alcohol that is dodecane substituted by a hydroxy group at position 2. It is a dodecanol and a secondary alcohol.
Namen und Bezeichner
- Bevorzugter Name
- Dodecan-2-ol
- IUPAC
- dodecan-2-ol
- Lokaler Name
- Dodecan-2-ol
- Englischer Name
- 2-DODECANOL
- Summenformel
- C12H26O
- Molmasse
- 186.33
Namen und Synonyme
2-DODECANOLDodecan-2-ol10203-28-8EINECS 233-500-4AI3-35259DTXSID70864232NSC 86142RefChem:590110DTXCID90812775233-500-4Dodecanol-22-lauryl alcohol
Weitere Namen anzeigen
ALCOHOL C12Dodecane-2-ol2-Dodecanol>rac-2-dodecanol2-DODECANOL 99%2-Dodecanol,99%C13061010 2-Dodecanol
2-hydroxydodecanedecylmethylcarbinolMFCD00004551(RS)-2-DODECANOLSCHEMBL120359(+/-)-2-DODECANOLCCG-40548NSC-86142
Datenbank-Bezeichner
- CAS
10203-28-8- PubChem CID
- 25045
- DTXSID
DTXSID70864232- ChEMBL
CHEMBL446067- ChEBI
CHEBI:195616- UNII
- ZWE64D8TQN
- EC Number
- 233-500-4
- Nikkaji
- J112.111A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,1
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 91,1
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesBoiling point
Flavoring AgentsEU Flavoring substances
Physikochemische Eigenschaften
- Schmelzpunkt
- 19 °C · 19 °C
- Siedepunkt
- 249 · 249-250 °C (lit.)
- Dichte
- 0.829 g/mL · 0.829 g/mL at 20 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.44(lit.)
- Flammpunkt
- 230 °F · >230 °F
- pka
- 15.27 · 15.27±0.20(Predicted)
- Aggregatzustand
- powder to lump to clear liquid
- Farbe
- White or Colorless to Almost white or Almost colorless
- BRN
- 1720036 · 1720036
- InChI
- InChI=1S/C12H26O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12-13H,3-11H2,1-2H3
- InChIKey
- XSWSEQPWKOWORN-UHFFFAOYSA-N
- SMILES
- CC(O)CCCCCCCCCC
- LogP
- 4.759 · 4.759 (est)
- CAS Datenbank
- 10203 · 10203-28-8(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
2-Dodecanol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29051900
- risk_code
- 36/37/38
- safety_code
- 23-24/25
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information2-Dodecanol: ACTIVE
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