Grundinformationen
- Standard-SMILES
CCC(C)CCCCCCCCCCCCC(=O)O- InChIKey
FXUKWLSZZHVEJD-UHFFFAOYSA-N- Summenformel
- C17H34O2
- Durchschnittliche Molmasse
- 270,5 g/mol
- Monoisotopische Masse
- 270,25588032
Namen und Bezeichner
- Bevorzugter Name
- Anteisoheptadecanoic acid
- IUPAC
- 14-methylhexadecanoic acid
- Englischer Name
- 14-Methylhexadecanoic acid
- Summenformel
- C17H34O2
- Molmasse
- 270.45
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
5746-59-8、5918-29-6- PubChem CID
- 22207
- DTXSID
DTXSID60974612- ChEBI
CHEBI:84874- EC Number
- 637-371-9
- Nikkaji
- J426.815F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,6
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 14
- Schwere Atome
- 19
- Formalladung
- 0
- Komplexität
- 201
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 36.8 °C · 36.8 °C
- Siedepunkt
- 358.05 °C · 358.05°C (estimate)
- Dichte
- 0.8791 · 0.8791 (rough estimate)
- Brechungsindex
- 1.4405 · 1.4405 (estimate)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform: Soluble,Ethanol: Soluble,Ether: Soluble
- Aggregatzustand
- powder
- pka
- 4.78 · 4.78±0.10(Predicted)
- Biologische Quelle
- synthetic (organic)
- InChI
- 1S/C17H34O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
- InChIKey
- FXUKWLSZZHVEJD-UHFFFAOYSA-N
- SMILES
- CCC(C)CCCCCCCCCCCCC(O)=O
- LogP
- 7.5 · 7.500 (est)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 2.5% (1 of 40) of reports.
Warning
H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 40 reports by companies.;There are 2 notifications provided by 39 of 40 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
Anwendungen
Beschreibung14-methyl Palmitic acid is a methylated fatty acid that has been found in bacteria, bovine milk fat, Aegean jellyfish (A. aurita), and one-humped camel (C. dromedarius) meat and fat. It is also found in human breast milk and levels are decreased in mature breast milk compared to colostrum. 14-methyl Palmitic acid is produced in Florida manatee (T. manatus latirostris) liver in response to brevetoxin exposure. [Matreya, LLC. Catalog No. 1616]
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