9-Decensure
9-Decenoic acid
Grundinformationen
- CAS
14436-32-9- Standard-SMILES
C=CCCCCCCCC(=O)O- InChIKey
KHAVLLBUVKBTBG-UHFFFAOYSA-N- Summenformel
- C10H18O2
- Durchschnittliche Molmasse
- 170,25 g/mol
- Monoisotopische Masse
- 170,13067981
Überblick
Dec-9-enoic acid is a decenoic acid having the double bond at position 9. It has a role as a metabolite. It is a conjugate acid of a dec-9-enoate.
Namen und Bezeichner
- Bevorzugter Name
- 9-Decenoic acid
- IUPAC
- dec-9-enoic acid
- Lokaler Name
- 9-Decensure
- Englischer Name
- 9-Decenoic acid
- Summenformel
- C10H18O2
- Molmasse
- 170.25
Namen und Synonyme
9-Decenoic aciddec-9-enoic acidCaproleic acidFEMA No. 3660UNII-U2E27P3TGKU2E27P3TGKFEMA 36609Z-DECENOIC ACIDEINECS 238-410-99-DECENOIC ACID [FHFI]CHEBI:32381DTXSID30162685
Weitere Namen anzeigen
Decenoicacid9-Decensureec-9-enoicaci9-decene-1-acidFEMA NUMBER 36609-DecenoicAcid>
C10:1n-1Dec9enoic acidRefChem:107836DTXCID9085176238-410-9KHAVLLBUVKBTBG-UHFFFAOYSA-N14436-32-99-decylenic acid
Datenbank-Bezeichner
- CAS
14436-32-9- PubChem CID
- 61743
- DTXSID
DTXSID30162685- ChEBI
CHEBI:32381- UNII
- U2E27P3TGK
- EC Number
- 238-410-9
- Nikkaji
- J81.770H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,3
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 130
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Organic Acids
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.893-0.913 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in alcohol
(in ethanol)
Boiling Point
269.00 to 271.00 °C. @ 760.00 mm Hg
270 °C
Refractive Index1.44-1.46
Physical Description
Colorless liquid; [Sigma-Aldrich MSDS]
Liquid
colourless to pale yellow liquid with a very waxy, somewhat fruity and milky odour
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]
P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 1445 reports by companies from 8 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 9-Decenoic acid
9-Decenoic acid: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] Stabilized with 0.1% a-tocopherol (CAS# 10191-41-0); A skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- hs_code
- 2916.19.3000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Verwendung und Herstellung
UsesUsed as a flavoring agent; [FDA]
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Anwendungen
OccurrenceReported found in butterfat, Swiss, blue, cheddar, Romano, and Parmesan cheeses and goat, sheep and other cheeses, mutton, hop oil, beer, white and red wine.
Verwenden9-Decenoic Acid is used to prepare epothilones A and B via macroaldolization, olefin metathesis and macrolactonization. It is also used to synthesize potent, selective, and efficacious reversible α-ketoheterocycle inhibitors of fatty acid amide hydrolase effective as analgesics.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
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