8-Methylnonanoic acid
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Grundinformationen
- CAS
26403-17-8- Standard-SMILES
CC(C)CCCCCCC(=O)O- InChIKey
OAOABCKPVCUNKO-UHFFFAOYSA-N- Summenformel
- C10H20O2
- Durchschnittliche Molmasse
- 172,26 g/mol
- Monoisotopische Masse
- 172,14632988
Überblick
8-methyl Nonanoic acid is a medium-chain fatty acid.
Namen und Bezeichner
- Bevorzugter Name
- 8-Methylnonanoic acid
- IUPAC
- 8-methylnonanoic acid
- Englischer Name
- 8-METHYLNONANOIC ACID
- Summenformel
- C10H20O2
- Molmasse
- 172.26
Namen und Synonyme
8-Methylnonanoic acid5963-14-4isocapric acid8-methyl-nonanoic acidNonanoic acid, 8-methyl-YL95S7AP4ZRefChem:1074762680-572-1Isodecanoic acid26403-17-8MFCD00044086UNII-LW5786QCKT
Weitere Namen anzeigen
UNII:LW5786QCKT8-Methylpelargonic acid8-Methylnonanoic acid,97%8-METHYLNONANOIC ACID 97%
CEKANOIC ACIDLMFA01020247CEKANOIC C10 ACIDLW5786QCKTSCHEMBL633844DTXSID1067207AKOS016845711AT35562
Datenbank-Bezeichner
- CAS
26403-17-8、5963-14-4- PubChem CID
- 111470
- DTXSID
DTXSID1067207- ChEBI
CHEBI:176811- UNII
- LW5786QCKT、YL95S7AP4Z
- EC Number
- 247-673-9、680-572-1
- Nikkaji
- J3.153.052K
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 3,8
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 119
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Organic Acids
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
Physical DescriptionClear liquid; [ExxonMobil MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 15 · 15-19 °C
- Siedepunkt
- 118 · 118-120 °C (2 mmHg)
- Dichte
- 0.9047 · 0.9047 (rough estimate)
- Brechungsindex
- 1.433 · 1.433-1.435
- storage temp.
- 20 °C · −20°C
- Löslichkeit
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- Aggregatzustand
- Liquid
- pka
- 4.78 · 4.78±0.10(Predicted)
- Farbe
- Clear colorless to yellow
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 33.3% (1 of 3) of reports.
Warning
H315 (66.7%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Isodecanoic acid
Isodecanoic 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.
Hazards SummaryAn eye irritant that may cause injury on prolonged contact; High vapor concentrations cause eye and respiratory tract irritation; An aspiration hazard by ingestion (may cause lung injury); [ExxonMobil MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)
Sicherheitsdaten
- hs_code
- 29159000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 37/39-26
Chemie und Industrie
Verwendung und Herstellung
Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationIsodecanoic acid: ACTIVE
Anwendungen
BeschreibungIsodecanoic acid is produced by oxidizing the mixture of aldehydes obtained from tripropylene in the oxo process. It is used in drying agents, PVC stabilizers, and alkyd resins; the copper salt is a wood preservative. Isodecanoic acid may be replaced by versatic acid 10 or neodecanoic acid.
VerwendenIntermediate for metal salts, ester type lubricants, plasticizers.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Ergänzende Hinweise
DefinitionMixture of branched-chain acids, primarily trimethylheptanoic and dimethyloctanoic.
Zugehörige Reaktionen
31
Notizen zur Verbindung
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