Isohexadecansure
14-Methylpentadecanoic acid
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Grundinformationen
- CAS
32844-67-0- Standard-SMILES
CC(C)CCCCCCCCCCCCC(=O)O- InChIKey
ZONJATNKKGGVSU-UHFFFAOYSA-N- Summenformel
- C16H32O2
- Durchschnittliche Molmasse
- 256,42 g/mol
- Monoisotopische Masse
- 256,24023026
Überblick
14-methylpentadecanoic acid is a methyl-branched fatty acid that is pentadecanoic acid substituted by a methyl group at position 14. It is a biomarker for rheumatoid arthritis. It has a role as a biomarker and a mammalian metabolite. It is a fatty acid 16:0, a long-chain fatty acid, a branched-chain saturated fatty acid and a methyl-branched fatty acid. It is functionally related to a pentadecanoic acid. It is a conjugate acid of a 14-methylpentadecanoate.
Namen und Bezeichner
- Bevorzugter Name
- 14-Methylpentadecanoic acid
- IUPAC
- 14-methylpentadecanoic acid
- Lokaler Name
- Isohexadecansure
- Englischer Name
- isohexadecanoic acid
- Summenformel
- C16H32O2
- Molmasse
- 256.42408
Namen und Synonyme
14-Methylpentadecanoic acidISOPALMITIC ACIDIsohexadecanoic acid32844-67-0Pentadecanoic acid, 14-methyl-IHU3LRR6SX14-methyl-pentadecanoic acidUNII-IHU3LRR6SXEINECS 251-256-7CHEBI:84890isopalmitateRefChem:78680
Weitere Namen anzeigen
Iso-C16:0DTXCID0038590DTXSID9067726FA(i-16:0)251-256-7636-922-0ZONJATNKKGGVSU-UHFFFAOYSA-N4669-02-7
Datenbank-Bezeichner
- CAS
32844-67-0、4669-02-7- PubChem CID
- 36247
- DTXSID
DTXSID9067726- ChEBI
CHEBI:84890- UNII
- IHU3LRR6SX
- EC Number
- 251-256-7、636-922-0
- Nikkaji
- J397.595I
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 6,1
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 13
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 188
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
Melting Point61.8 - 62.4 °C
Physical Description
Other Solid
Solid
Physikochemische Eigenschaften
- LogP
- 6.655 · 6.655 (est)
- EPA chemische Informationen
- Isohexadecanoic acid (32844-67-0)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
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]
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.
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Gefahrenhinweise
Regulatory Information
Chemical: Pentadecanoic acid, 14-methyl-
Isohexadecanoic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Isohexadecanoic acid are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Isohexadecanoic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and Categories
Skin Irrit. 2 (97.5%)
Not Classified
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Verwendung und Herstellung
U.S. Production2023: 250,000 - <550,000 lb
Industry UsesLubricating agent
General Manufacturing Information
Paper Manufacturing
Isohexadecanoic acid: ACTIVE
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