Isotridecanoic acid

HCID 33002CAS 25448-24-2
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
CC(C)CCCCCCCCCC(=O)O
InChIKey
SIOLDWZBFABPJU-UHFFFAOYSA-N
Summenformel
C13H26O2
Durchschnittliche Molmasse
214,34 g/mol
Monoisotopische Masse
214,19328007

Überblick

Isotridecanoic acid is a branched-chain saturated fatty acid comprising dodecanoic (lauric) acid substituted at position 11 by a methyl group. It is a branched-chain saturated fatty acid, a medium-chain fatty acid and a methyl-branched fatty acid. It is a conjugate acid of an isotridecanoate.

Namen und Bezeichner

Bevorzugter Name
Isotridecanoic acid
IUPAC
11-methyldodecanoic acid
Englischer Name
11-METHYLDODECANOIC ACID
Summenformel
C13H26O2
Molmasse
214.34

Namen und Synonyme

Isotridecanoic acid11-Methyldodecanoic acid11-methyllauric acid25448-24-2EINECS 246-997-8C13:0 isoiso-C13:013:0 isoDTXSID1067099CHEBI:77359i13:0RefChem:792380
Weitere Namen anzeigen
Dodecanoic acid, 11-methyl-11-Methyldodecanoic acid, Isotridecanoic acid
DTXCID1037305246-997-8633-481-65681-98-111-METHYLDODECANOICACID11-methyl-dodecanoic acid11-?Methyldodecanoic AcidIsoundecylic acid

Datenbank-Bezeichner

CAS
25448-24-2、5681-98-1
PubChem CID
33002
DTXSID
DTXSID1067099
ChEBI
CHEBI:77359
UNII
5YSZ6ZYK4L
EC Number
246-997-8、633-481-6
Nikkaji
J426.796F

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4,5
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
10
Schwere Atome
15

Experimentelle und physikochemische Eigenschaften

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
Collision Cross Section153.22 Ų [M-H]- [CCS Type: TIMS; Method: single field calibrated]

Physikochemische Eigenschaften

Schmelzpunkt
40.5 · 40.5-41 °C
Siedepunkt
174 °C · 174 °C(Press: 11 Torr)
Dichte
0.9 · 0.900±0.06 g/cm3(Predicted)
storage temp.
20 °C · −20°C
pka
4.78 · 4.78±0.10(Predicted)
CAS Datenbank
5681 · 5681-98-1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H315 (100%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Isotridecanoic acid

Isotridecanoic acid: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Isotridecanoic acid: Human health tier I assessment
Hazard Classes and Categories · 2 Einträge

Skin Irrit. 2 (100%)

Skin Irrit. 2 (100%)

Sicherheitsdaten

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

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationIsotridecanoic acid: INACTIVE

Anbieter20 Anbieter

宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
Dalian Ruiying Technology Co., Ltd.+86-0411-86907150 +86-15940963210 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]

Zugehörige Reaktionen

4
Reaktionsaufzeichnung erstellen

Verknüpfte Notizen

Wird geladen…