Oct-2-ensure
trans-2-Octenoic acid
Grundinformationen
- CAS
1470-50-4- Standard-SMILES
CCCCC/C=C/C(=O)O- InChIKey
CWMPPVPFLSZGCY-VOTSOKGWSA-N- Summenformel
- C8H14O2
- Durchschnittliche Molmasse
- 142,2 g/mol
- Monoisotopische Masse
- 142,09937969
Überblick
(2E)-oct-2-enoic acid is an olefinic fatty acid that is octanoic acid carrying a double bond at position 2 (the 2E-isomer). It has a role as an animal metabolite. It is a monounsaturated fatty acid, an olefinic fatty acid, a straight-chain fatty acid and a medium-chain fatty acid. It is a conjugate acid of a (2E)-oct-2-enoate.
Namen und Bezeichner
- Bevorzugter Name
- trans-2-Octenoic acid
- IUPAC
- (E)-oct-2-enoic acid
- Lokaler Name
- Oct-2-ensure
- Englischer Name
- trans-2-Octenoic acid
- Summenformel
- C8H14O2
- Molmasse
- 142.2
Namen und Synonyme
trans-2-Octenoic acid1871-67-6(E)-2-Octenoic acid2-Octenoic acid, (2E)-(2E)-2-Octenoic acid(2E)-oct-2-enoic acidtrans-alpha-octenoic acidtrans-2-Octenoate(E)-2-OctenoateOct-2-enoic acid (E)UNII-C0057TJ59EFEMA NO. 3957
Weitere Namen anzeigen
2-OCTENOIC ACIDT2 OCTENOIC ACIDFEMA NUMBER 39572-OCTENOIC ACID 97%RARECHEM AL BK 01642-OCTENOIC ACID (TRANS-)2-Octenoic acid oct-2-enoic acid
C0057TJ59EC8:1n-6EINECS 217-491-42-Octenoic acid, trans-(E)-Oct-2-enoateCHEBI:86544DTXSID50904721(E)-2-OCTENOIC ACID [FHFI]
Datenbank-Bezeichner
- CAS
1470-50-4、1871-67-6- PubChem CID
- 5282714
- DTXSID
DTXSID50904721
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 116
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
LogP2.9
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.935-0.941
Flavoring AgentsEU Flavoring substances
Solubility
slightly
Insoluble in water; soluble in oils
Soluble (in ethanol)
Boiling Point
139.00 to 141.00 °C. @ 13.00 mm Hg
139-141 °C (13 mm Hg)
Melting Point5 - 6 °C
Refractive Index1.458-1.462
Physical Description
Liquid
Colourless liquid; Buttery, butterscotch aroma
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 2-Octenoic acid, (E)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Octenoic acid, (2E)-: 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
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- risk_code
- 34
- hazard_code
- C
- safety_code
- 26-27-28-36/37/39-45
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Metabolite PathwaysFatty Acid Biosynthesis
Verwendung und Herstellung
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Zugehörige Reaktionen
4
Notizen zur Verbindung
Wird geladen…