Heptadecanal
Grundinformationen
- CAS
629-90-3- Standard-SMILES
CCCCCCCCCCCCCCCCC=O- InChIKey
PIYDVAYKYBWPPY-UHFFFAOYSA-N- Summenformel
- C17H34O
- Durchschnittliche Molmasse
- 254,5 g/mol
- Monoisotopische Masse
- 254,2609657
Überblick
Heptadecanal is a long-chain fatty aldehyde that is heptadecane carrying an oxo substituent at position 1. It is found in citrus. It has a role as a coral metabolite and a plant metabolite. It is a saturated fatty aldehyde, a long-chain fatty aldehyde and a 2,3-saturated fatty aldehyde.
Namen und Bezeichner
- Bevorzugter Name
- Heptadecanal
- IUPAC
- heptadecanal
- Lokaler Name
- Heptadecanal
- Englischer Name
- heptadecanal
- Summenformel
- C17H34O
- Molmasse
- 254.45
Namen und Synonyme
Heptadecanaln-heptadecanal629-90-31-Heptadecanalmargaraldehydeheptadecan-1-alMARGARIC ALDEHYDEHexadecyl AldehydeUNII-74T693129YAI3-24250EINECS 211-115-2DTXSID00212080
Weitere Namen anzeigen
Heptadecanal>HeptadecanaldehydeHeptadecanaldehyde Heptadecyl Aldehyde
CHEBI:13863174T693129YRefChem:145617DTXCID00134571211-115-2PIYDVAYKYBWPPY-UHFFFAOYSA-NMFCD04034658Heptadecyl Aldehyde
Datenbank-Bezeichner
- CAS
629-90-3- PubChem CID
- 71552
- DTXSID
DTXSID00212080- ChEBI
CHEBI:138631- UNII
- 74T693129Y
- EC Number
- 211-115-2
- Nikkaji
- J96.096I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 7,6
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 15
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 154
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty aldehydes [FA06]
SpringerMaterials PropertiesBoiling point
Melting Point36 °C
Physical DescriptionSolid
Physikochemische Eigenschaften
- Schmelzpunkt
- 34 to · 34.0 to 39.0 °C
- Siedepunkt
- 318 °C · 318°C(lit.)
- Dichte
- 0.8233 · 0.8233 (estimate)
- Brechungsindex
- 1.4484 · 1.4484 (estimate)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- Löslichkeit
- Acetonitrile (Slightly, Sonicated), Chloroform (Slightly)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- Stabilität
- Air Sensitive, Moisture Sensitive
- LogP
- 7.537 · 7.537 (est)
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
H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesFlam. Liq. 3 (50%)
Sicherheitsdaten
- hs_code
- 2912190090
- RTECS-Nr.
- MI3210000
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Anwendungen
Verwendenn-Heptadecanal is one of the volatile components in the essential oil extracts of yaka, a type of tobacco that is native to Bulgaria. n-Heptadecanal is also one of the volatile components from the leaf extracts of Rhus typhina, a plant that displays insecticidal activity towards aphids.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
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