Grundinformationen
- Standard-SMILES
CC(C)/C=C/CCCCC(=O)O- InChIKey
OCALSPDXYQHUHA-FNORWQNLSA-N- Summenformel
- C10H18O2
- Durchschnittliche Molmasse
- 170,25 g/mol
- Monoisotopische Masse
- 170,13067982
Überblick
8-Methyl-6-nonenoic acid is a medium-chain fatty acid.
Namen und Bezeichner
- Bevorzugter Name
- (6E)-8-Methyl-6-nonenoic acid
- IUPAC
- (E)-8-methylnon-6-enoic acid
- Englischer Name
- 8-Methylnon-6-enoic acid
- Summenformel
- C10H18O2
- Molmasse
- 170.25
Namen und Synonyme
59320-77-3(6E)-8-Methyl-6-nonenoic acidDTXSID901307876RefChem:1050679DTXCID90832397(E)-8-methylnon-6-enoic acid(E)-8-Methyl-6-nonenoic acid8-Methyl-6-nonenoic acid8-methylnon-6-enoic acid8-methylnonenoate(6E)-8-METHYLNON-6-ENOIC ACIDtrans-8-methyl-6-nonenoic acid
Weitere Namen anzeigen
ZK-C(6E)-8-Methyl-(E)-8-methylnon-6-enoicacitrans-8-Methylnon-6-enoic Acid8-Methylnon-trans-6-enoic Acid
MFCD0020385521382-25-28-Methyl-6-nonenoic acid, predominantly transtrans-8-Methyl-6-nonenoic acid, predominantly(E)-8-Methyl-6-nonenoate(E)-8-Methylnon-6-enoicacid6-Nonenoic acid, 8-methyl-, (E)-6-Nonenoic acid, 8-methyl-, (6E)-
Datenbank-Bezeichner
- CAS
59320-77-3- PubChem CID
- 5365959
- DTXSID
DTXSID901307876- ChEBI
CHEBI:81581- Nikkaji
- J1.643.437J、J2.322.049K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 148
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
Physical DescriptionSolid
Physikochemische Eigenschaften
- Siedepunkt
- 130 · 130-132 °C(Press: 12 Torr)
- Dichte
- 0.934 · 0.934±0.06 g/cm3(Predicted)
- Brechungsindex
- 20 · n20/D1.440-1.450
- storage temp.
- Refrigerator, Under Inert Atmosphere
- Löslichkeit
- Chloroform (Sparingly), Dichloromethane (Slightly), Ethyl Acetate (Slightly), Methane
- pka
- 4.75 · 4.75±0.10(Predicted)
- Farbe
- Colourless to Yellow
- BRN
- 1704210 · 1704210
- InChI
- InChI=1S/C10H18O2/c1-9(2)7-5-3-4-6-8-10(11)12/h5,7,9H,3-4,6,8H2,1-2H3,(H,11,12)/b7-5+
- InChIKey
- OCALSPDXYQHUHA-FNORWQNLSA-N
- SMILES
- C(O)(=O)CCCC/C=C/C(C)C
Sicherheit und Regulatorisches
Sicherheitsdaten
- wgk
- 3
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Anwendungen
VerwendenA compund from thermal decomposition of Capsaicin, as a possible carcinogen. E/Z = 88/12 (by NMR)
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