Isohexadecansure

14-Methylpentadecanoic acid

HCID 36247CAS 32844-67-0

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Grundinformationen

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 Struktureigenschaften

XLogP: 6,1
Polarare Oberfläche (TPSA): 37,3 Å²
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 · 2 Einträge

Other Solid

Solid

Physikochemische Eigenschaften

LogP: 6.655 · 6.655 (est)
EPA chemische Informationen: Isohexadecanoic acid (32844-67-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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 · 3 Einträge

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 · 2 Einträge

Skin Irrit. 2 (97.5%)

Not Classified