Grundinformationen
- Standard-SMILES
CCCCCCC(O)CCCCCCCCCCCO- InChIKey
KHLCTMQBMINUNT-UHFFFAOYSA-N- Summenformel
- C18H38O2
- Durchschnittliche Molmasse
- 286,5 g/mol
- Monoisotopische Masse
- 286,28718046
Namen und Bezeichner
- Bevorzugter Name
- Hydroxystearyl alcohol
- IUPAC
- octadecane-1,12-diol
- Lokaler Name
- Octadecan-1,12-diol
- Englischer Name
- 1,12-Octadecanediol
- Summenformel
- C18H38O2
- Molmasse
- 286.49
Namen und Synonyme
1,12-OctadecanediolOctadecane-1,12-diolhydroxystearyl alcohol12-Hydroxystearyl alcoholUN9IN5VLYELOXANOLNSC-8551EINECS 220-342-6SIMULGREEN 18-2SOVERMOL 912AI3-317731, 12-OCATADECANEDIOL
Weitere Namen anzeigen
12-HYDROXY STEARYL1,12-Octadecandiol1,12-OCTADECANEDIOL 85%1,12-DIHYDROXYOCTADECANE
DTXSID401036200NSC 8551RefChem:789571DTXCID001470179HYDROXYSTEARYL ALCOHOL [INCI]220-342-62726-73-0Alfol A
Datenbank-Bezeichner
- CAS
2726-73-0- PubChem CID
- 95421
- DTXSID
DTXSID401036200- UNII
- UN9IN5VLYE
- EC Number
- 220-342-6
- Nikkaji
- J299.198E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 7
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 16
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 171
Physikochemische Eigenschaften
- Schmelzpunkt
- 79.5 · 79.5-80℃
- Siedepunkt
- 180 · 180-182 °C(Press: 0.5 Torr)
- Dichte
- 0.892 · 0.892±0.06 g/cm3(Predicted)
- Dampfdruck
- 0 Pa · 0Pa at 20℃
- pka
- 15.2 · 15.20±0.10(Predicted)
- Wasserlöslichkeit
- 35.01 μg/L · 35.01μg/L at 20℃
- Kosmetik-Inhaltsstoffe Funktionen
- SURFACTANT - EMULSIFYING
- InChI
- 1S/C18H38O2/c1-2-3-4-12-15-18(20)16-13-10-8-6-5-7-9-11-14-17-19/h18-20H,2-17H2,1H3
- InChIKey
- KHLCTMQBMINUNT-UHFFFAOYSA-N
- SMILES
- CCCCCCC(O)CCCCCCCCCCCO
- LogP
- 6.58 at · 6.58 at 25℃
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (25 of 25) of all reports.
Not Classified
Aggregated GHS information provided per 25 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 1,12-Octadecanediol
Status: Active Update: 08-06-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17479
1,12-Octadecanediol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- wgk
- -
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
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