Grundinformationen
- Standard-SMILES
O=C(O)CCCCCCCCCCCCCCO- InChIKey
BZUNJUAMQZRJIP-UHFFFAOYSA-N- Summenformel
- C15H30O3
- Durchschnittliche Molmasse
- 258,4 g/mol
- Monoisotopische Masse
- 258,21949481
Namen und Bezeichner
- Bevorzugter Name
- 15-Hydroxypentadecanoic acid
- IUPAC
- 15-hydroxypentadecanoic acid
- Lokaler Name
- 15-Hydroxypentadecansure
- Englischer Name
- 15-Hydroxypentadecanoic acid
- Summenformel
- C15H30O3
- Molmasse
- 258.4
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
4617-33-8- PubChem CID
- 78360
- DTXSID
DTXSID00196750- ChEBI
CHEBI:79169- UNII
- FU65P3692T
- EC Number
- 225-026-1
- Nikkaji
- J208.609C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,2
- Polarare Oberfläche (TPSA)
- 57,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 14
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 181
Physikochemische Eigenschaften
- Schmelzpunkt
- 85 · 85-89 °C(lit.)
- Siedepunkt
- 174 · 174-220 °C(Press: 4 Torr)
- Dichte
- 0.963 · 0.963±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform (Slightly, Sonicated), DMSO (Slightly)
- pka
- 4.78 · 4.78±0.10(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- BRN
- 1240100 · 1240100
- InChI
- InChI=1S/C15H30O3/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(17)18/h16H,1-14H2,(H,17,18)
- InChIKey
- BZUNJUAMQZRJIP-UHFFFAOYSA-N
- SMILES
- C(O)(=O)CCCCCCCCCCCCCCO
- CAS Datenbank
- 4617 · 4617-33-8(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+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
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2915907098
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 24/25
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
Beschreibung15-hydroxy Pentadecanoic acid is a hydroxylated fatty acid that has been used in the synthesis of the macrocyclic lactone musk compounds exaltolide and phoracantholide I. [Matreya, LLC. Catalog No. 1881]
Verwenden15-Hydroxypentadecanoic acid is suitable reagent used in the following studies: As an internal standard in the quantification of formation of 11-hydroxylauric acid by gas chromatography.In the synthesis of [16-14C]16DCA (DCA= dicarboxylic acid) by one-carbon elongation procedure at C15.As an internal standard for the normalization of intensities in the mass spectra of plant cutin polymer.It may be used in the synthesis of 5-pentadecanolide on dealuminated HY zeolite and also fatty acid analog of podophyllotoxin.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Anbieter50 Anbieter
Ergänzende Hinweise
DefinitionChEBI: An omega-hydroxy fatty acid that is pentadecanoic acid in which one of the hydrogens of the terminal methyl group has been replaced by a hydroxy group.
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