Grundinformationen
- Standard-SMILES
CCCCC/C=C/C=O- InChIKey
LVBXEMGDVWVTGY-VOTSOKGWSA-N- Summenformel
- C8H14O
- Durchschnittliche Molmasse
- 126,2 g/mol
- Monoisotopische Masse
- 126,10446507
Überblick
(E)-oct-2-enal is the (E)-isomer of oct-2-enal. It has a role as a volatile oil component and an antifungal agent.
Namen und Bezeichner
- Bevorzugter Name
- (E)-2-Octenal
- IUPAC
- (E)-oct-2-enal
Namen und Synonyme
trans-2-Octenal(E)-2-Octenal(E)-Oct-2-enal2548-87-0(E)-2-Octen-1-altrans-2-Octen-1-al2-Octenal, (E)-2-Octenal, (2E)-2-OctenelFEMA No. 321555N91D7775CHEBI:61748
Weitere Namen anzeigen
DTXSID40858789RefChem:477297DTXCID30210938219-833-82-OCTENAL2363-89-52-Octen-1-altrans-oct-2-enal
Datenbank-Bezeichner
- CAS
2363-89-5、25447-69-2、2548-87-0- PubChem CID
- 5283324
- DTXSID
DTXSID40858789- ChEMBL
CHEMBL448058- ChEBI
CHEBI:61748- UNII
- 55N91D7775
- EC Number
- 219-833-8
- Nikkaji
- J100.559F、J213.219B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 84,6
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Aldehydes
LipidsFatty Acyls [FA] -> Fatty aldehydes [FA06]
Fragrances
Fragrance Ingredient (2-Octenal) -> IFRA transparency List
Fragrance Ingredient (trans-2-Octenal) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Vapor Pressure0.59 [mmHg]
Physical DescriptionColorless liquid with a distinct green-leafy odor; [Bedoukian Research MSDS]
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 69.5% (114 of 164) of all reports.
Warning
H315 (29.9%): 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 164 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 2-Octenal
Chemical: 2-Octenal, (E)-
Regulation (EC) No 1831/2003 (amended)
2-Octenal: Does not have an individual approval but may be used under an appropriate group standard
2-Octenal, (2E)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety Information
IMAP assessments - 2-Octenal, (E)-: Environment tier I assessment
IMAP assessments - 2-Octenal: Environment tier I assessment
Hazards SummaryMay cause irritation; Harmful by ingestion; [Bedoukian Research MSDS] See trans-2-Hexenal.
Hazard Classes and CategoriesSkin Irrit. 2 (29.9%)
Chemie und Industrie
Verwendung und Herstellung
UsesUsed in flavors and fragrances; [Bedoukian Research MSDS]
Use Classification
Fragrance Ingredients
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
2-Octenal: ACTIVE
2-Octenal, (2E)-: ACTIVE
Zugehörige Reaktionen
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