Grundinformationen
- Standard-SMILES
CCCCCCCCCCCCCCCc1cccc(O)c1- InChIKey
PTFIPECGHSYQNR-UHFFFAOYSA-N- Summenformel
- C21H36O
- Durchschnittliche Molmasse
- 304,5 g/mol
- Monoisotopische Masse
- 304,27661577
Überblick
3-Pentadecylphenol is a member of phenols.
Namen und Bezeichner
- Bevorzugter Name
- Hydrogenated cardanol
- IUPAC
- 3-pentadecylphenol
- Lokaler Name
- 3-Pentadecylphenol
- Englischer Name
- 3-Pentadecylphenol
- Summenformel
- C21H36O
- Molmasse
- 304.51
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
501-24-6- PubChem CID
- 68146
- DTXSID
DTXSID9060108- ChEMBL
CHEMBL34689- ChEBI
CHEBI:174189- UNII
- J10ATZ45ZU
- EC Number
- 207-921-9
- Nikkaji
- J150.114C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 9,4
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 14
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 226
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 50 · 50-53 °C(lit.)
- Siedepunkt
- 190 · 190-195 °C1 mm Hg(lit.)
- Dichte
- 0.9096 · 0.9096 (rough estimate)
- Brechungsindex
- 1.496 · 1.4960 (estimate)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- pka
- 10.06 · 10.06±0.10(Predicted)
- Aggregatzustand
- powder to lump
- Farbe
- White to Gray to Brown
- Major Application
- food and beverages
- InChI
- InChI=1S/C21H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h15,17-19,22H,2-14,16H2,1H3
- InChIKey
- PTFIPECGHSYQNR-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=CC(CCCCCCCCCCCCCCC)=C1
- CAS Datenbank
- 501 · 501-24-6(CAS DataBase Reference)
- EPA chemische Informationen
- 3 · Phenol, 3-pentadecyl- (501-24-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (93.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29071990
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
Verwendung und Herstellung
Anwendungen
Beschreibung3-Pentadecylphenol (PDP) is an amphiphilic compound and belongs to a large group of phenolic lipids which is composed of an aromatic headgroup related to phenol or dihydroxybenzene connected to a hydrophobic hydrocarbon chain. PDP is derived from the shell of the cashew nut (Anacardium occidentale L.) which contains oil internationally named “cashew nut shell liquid” (CNSL). PDP can effectively function as an antiobesity agent by inhibiting the activity of α-glucosidase enzyme and finally can regulate body weight in the animal. PDP has also quite promising antioxidant activity. Researchers believe that this compound as an amphiphilic compound should be inserted into the biomembranes and be the antioxidant agent[1]. In particular, phenolic lipids comprise a large group of compounds of natural abundance, which are found in plants, fungi, and bacteria and have different biological functions, like antibacterial, fungicides, and cytotoxic activity[2].
Verwenden3-Pentadecylphenol may be used as a reference standard for the analysis of 3-pentadecylphenol as a bioactive compound in Aplotaxis auriculata rhizome by gas chromatography-mass spectrometry (GC-MS). It has been reported to have been used as a reference standard for the determination of 3-pentadecylphenol in Sakhalin-Ainu as well as Ryukyu lacquerwares and in Japanese ancient lacquerwares excavated from Jomon period ruins by pyrolysis GC-MS.
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