10-Methylundecanoic acid

HCID 75942CAS 2724-56-3
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Grundinformationen

Standard-SMILES
CC(C)CCCCCCCCC(=O)O
InChIKey
QJRRBVNPIKYRQJ-UHFFFAOYSA-N
Summenformel
C12H24O2
Durchschnittliche Molmasse
200,32 g/mol
Monoisotopische Masse
200,17763001

Überblick

10-methylundecanoic acid is a methyl-branched fatty acid that is undecanoic acid substituted by a methyl group at position 10. It is a branched-chain saturated fatty acid, a medium-chain fatty acid and a methyl-branched fatty acid. It is functionally related to an undecanoic acid.

Namen und Bezeichner

Bevorzugter Name
10-Methylundecanoic acid
IUPAC
10-methylundecanoic acid
Englischer Name
10-METHYLUNDECANOIC ACID
Summenformel
C12H24O2
Molmasse
200.32

Namen und Synonyme

10-Methylundecanoic acid2724-56-310-methylundecylic acidCHEBI:84889DTXSID70181693RefChem:437050DTXCID10104184636-654-4isolauric acidUndecanoic acid, 10-methyl-Isoundecanoic acid10-methyl-undecanoic acid
Weitere Namen anzeigen
JARIC I-12
Isododecanoic acidUndecanoic acid,10-methyl-10-METHYLUNDECANOICACID10-methylundecanoicaciAI3-0599910-methyl-hendecanoic acidSCHEMBL839386SCHEMBL10800219

Datenbank-Bezeichner

CAS
2724-56-3
PubChem CID
75942
DTXSID
DTXSID70181693
ChEBI
CHEBI:84889
EC Number
636-654-4
Nikkaji
J330.690I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4,9
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
9
Schwere Atome
14

Experimentelle und physikochemische Eigenschaften

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]

Physikochemische Eigenschaften

Schmelzpunkt
38 · 38-39 °C
Siedepunkt
293.36 °C · 293.36°C (estimate)
Dichte
0.891 · 0.8910 (rough estimate)
Brechungsindex
1.4251 · 1.4251 (estimate)
storage temp.
20 °C · −20°C
Aggregatzustand
Liquid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)

Sicherheitsdaten

wgk
3
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36

Chemie und Industrie

Anbieter18 Anbieter

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A methyl-branched fatty acid that is undecanoic acid substituted by a methyl group at position 10.

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