Grundinformationen
- Standard-SMILES
CCCCCCCCCCCCCCCCCO- InChIKey
GOQYKNQRPGWPLP-UHFFFAOYSA-N- Summenformel
- C17H36O
- Durchschnittliche Molmasse
- 256,5 g/mol
- Monoisotopische Masse
- 256,27661577
Überblick
Heptadecan-1-ol is a long-chain primary fatty alcohol that is heptadecane in which one of the terminal methyl hydrogens is replaced by a hydroxy group. It has a role as a volatile oil component, a plant metabolite and a fungal metabolite. It is a heptadecanol and a long-chain primary fatty alcohol.
Namen und Bezeichner
- Bevorzugter Name
- 1-Heptadecanol
- IUPAC
- heptadecan-1-ol
- Lokaler Name
- Heptadecan-1-ol
- Englischer Name
- 1-HEPTADECANOL
- Summenformel
- C17H36O
- Molmasse
- 256.47
Namen und Synonyme
1-HeptadecanolHeptadecan-1-oln-heptadecyl alcoholn-Heptadecanol-1UNII-N3IL85TMCXEINECS 215-932-5MARGARIC ALCOHOLnHeptadecanolHEPTADECANOL, 1-N3IL85TMCXAI3-01234NSC 3921
Weitere Namen anzeigen
n-Heptadecanol1-HydroxyheptadecaneHEPTADECYL ALCOHOLSKL639ALCOHOL C17Heptsdecanol1-Heptadecanol>
DTXSID3051460NSC-3921CHEBI:77470RefChem:75849DTXCID208323GOQYKNQRPGWPLP-UHFFFAOYSA-N1454-85-9Heptadecanol
Datenbank-Bezeichner
- CAS
1454-85-9、52783-44-5- PubChem CID
- 15076
- DTXSID
DTXSID3051460- ChEMBL
CHEMBL278989- ChEBI
CHEBI:77470- UNII
- N3IL85TMCX
- EC Number
- 215-932-5
- Nikkaji
- J7.496I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 7,8
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 15
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 134
Experimentelle und physikochemische Eigenschaften
PolymersOther Classes -> Alcohols and Polyols, Other
SpringerMaterials PropertiesBoiling point
Flavoring AgentsEU Flavoring substances
Endocrine DisruptorsPotential endocrine disrupting compound
Vapor Pressure0.00000261 [mmHg]
Physical DescriptionCrystalline lump; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 51 · 51-55 °C (lit.)
- Siedepunkt
- 308.5 °C · 308.5 °C
- Dichte
- 0.836 · 0.836
- Brechungsindex
- 1.4324 · 1.4324 (estimate)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- 50 mg/mL, · chloroform: soluble50mg/mL, clear, colorless
- Aggregatzustand
- Crystalline Powder or Crystals
- pka
- 15.2 · 15.20±0.10(Predicted)
- Farbe
- White to almost white
- Wasserlöslichkeit
- 25.6 ug/L · <=25.6ug/L(25 ºC)
- BRN
- 1702195 · 1702195
- Henry's Law Constant
- 4.5 · 4.5×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
- Stabilität
- Stable. Combustible. Incompatible with strong oxidizing agents.
- InChIKey
- GOQYKNQRPGWPLP-UHFFFAOYSA-N
- LogP
- 7.462 · 7.462 (est)
- CAS Datenbank
- 1454 · 1454-85-9(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · 1-Heptadecanol (1454-85-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 95.8% (92 of 96) of all reports.
Not Classified
Aggregated GHS information provided per 96 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
1-Heptadecanol: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; [Alfa Aesar MSDS] See 1-Docosanol.
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29051990
- RTECS-Nr.
- MI3900000
- risk_code
- 36/38
- safety_code
- 22-24/25
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information1-Heptadecanol: ACTIVE
Anwendungen
VerwendenOrganic synthesis, plasticizer, intermediates, perfume fixatives, soaps and cosmetics, manufacture of wetting agents and detergents.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Ergänzende Hinweise
DefinitionChEBI: A long-chain fatty alcohol that is heptadecane in which one of the terminal methyl hydrogens is replaced by a hydroxy group.
Zugehörige Reaktionen
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