Isononanoic acid
Grundinformationen
- CAS
109363-00-0- Standard-SMILES
CC(C)CCCCCC(=O)O- InChIKey
XZOYHFBNQHPJRQ-UHFFFAOYSA-N- Summenformel
- C9H18O2
- Durchschnittliche Molmasse
- 158,24 g/mol
Überblick
7-methyloctanoic acid is a branched-chain saturated fatty acid consisting of octanoic acid carrying a 7-methyl group. It is a branched-chain saturated fatty acid, a medium-chain fatty acid and a methyl-branched fatty acid.
Namen und Bezeichner
- Bevorzugter Name
- Isononanoic acid
- IUPAC
- 7-methyloctanoic acid
- Englischer Name
- Isonanoicacid
- Molmasse
- 0
Namen und Synonyme
7-methyloctanoic acidISONONANOIC ACID693-19-626896-18-4isopelargonic acidOctanoic acid, 7-methyl-M3MIU88L6UUNII-M3MIU88L6UCHEBI:37108DTXSID108831297-methyl-octanoateisononanate
Weitere Namen anzeigen
Isonanoicacid
isononanoateisopelargonate7-Methylcaprylate7-Methyl caprylateRefChem:149597DTXCID807915DTXSID2027915248-092-3
Datenbank-Bezeichner
- CAS
109363-00-0- ChEBI
CHEBI:37108- UNII
- M3MIU88L6U
- EC Number
- 248-092-3
- Nikkaji
- J249.078A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,3
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 108
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
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
This chemical does not meet GHS hazard criteria for 18% (33 of 183) of reports.
Danger
H302 (59%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 183 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Isononanoic acid
Status: Active Update: 10-08-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26602
Isononanoic 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.
Hazard Classes and CategoriesAcute Tox. 4 (59%)
Chemie und Industrie
Verwendung und Herstellung
Household ProductsInformation on 2 consumer products that contain Isononanoic acid in the following categories is provided:
Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationIsononanoic acid: ACTIVE
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
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