13-Methyltetradecanoic Acid
Grundinformationen
- CAS
2485-71-4- Standard-SMILES
CC(C)CCCCCCCCCCCC(=O)O- InChIKey
ZOCYQVNGROEVLU-UHFFFAOYSA-N- Summenformel
- C15H30O2
- Durchschnittliche Molmasse
- 242,4 g/mol
- Monoisotopische Masse
- 242,2245802
Überblick
Isopentadecanoic acid is a branched-chain saturated fatty acid comprising tetradecanoic (myristic) acid substituted at position 13 by a methyl group. It is a long-chain fatty acid, a branched-chain saturated fatty acid and a methyl-branched fatty acid. It is a conjugate acid of an isopentadecanoate.
Namen und Bezeichner
- Bevorzugter Name
- 13-Methyltetradecanoic Acid
- IUPAC
- 13-methyltetradecanoic acid
- Englischer Name
- 13-Methyltetradecanoic acid
- Summenformel
- C15H30O2
- Molmasse
- 242.4
Namen und Synonyme
13-Methyltetradecanoic acid2485-71-413-methylmyristic acid13-MtdSubtilopentadecanoic acid13-methyl-tetradecanoic acidTetradecanoic acid, 13-methyl-M09T9M1LTYDTXSID90179552RefChem:7849113-MTADTXCID50102043
Weitere Namen anzeigen
LeDSF3ISO C15 ACIDisopentadecanoicaciISO 15:0 FATTY ACIDISO-PENTADECANOIC ACID13-Methyltetradecanoic acid, iso C15 Fatty acid13 Methyltetradecanoic acid,13Methyltetradecanoic acid
636-731-2Isopentadecanoic acidIsopentadecylic acid13-METHYLTETRADECANOICACIDiso-C15i-C15:013-Methyl-tetradecansaeureiso-C15:0
Datenbank-Bezeichner
- CAS
2485-71-4、50973-09-6- PubChem CID
- 151014
- DTXSID
DTXSID90179552- ChEMBL
CHEMBL495851- ChEBI
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,5
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 12
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 176
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
Physikochemische Eigenschaften
- Schmelzpunkt
- 50.2 °C · 50.2 °C
- Siedepunkt
- 189 °C · 189 °C(Press: 12 Torr)
- Dichte
- 0.894 · 0.894±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- Chloroform: Soluble; Ethanol: Soluble; Ether: Soluble
- Aggregatzustand
- A solid
- pka
- 4.78 · 4.78±0.10(Predicted)
- Farbe
- White to off-white
- InChI
- 1S/C15H30O2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
- InChIKey
- ZOCYQVNGROEVLU-UHFFFAOYSA-N
- SMILES
- CC(C)CCCCCCCCCCCC(O)=O
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
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
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
VerwendenIsopentadecanoic acid is a methylated fatty acid that has been found in dairy ewe rumen liquor, bovine milk, goat milk fat, the edible flesh of rainbow trout (O. mykiss), and Flavobacterium.
Anbieter39 Anbieter
HONEST JOY HOLDINGS LIMITED[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
Aladdin Scientific[email protected]
United Life Science020-82099279 18988968278 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
南京毕科生物科技有限公司025-58906079 15151970915 · [email protected]
上海兴鲁化工科技有限公司02120970332 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Alfa Chemistry
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