Dodecanal

HCID 8194

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 112-54-9
Standard-SMILES: CCCCCCCCCCCC=O
InChIKey: HFJRKMMYBMWEAD-UHFFFAOYSA-N
Summenformel: C12H24O
Durchschnittliche Molmasse: 184,32 g/mol
Monoisotopische Masse: 184,18271539

Überblick

Dodecanal is a long-chain fatty aldehyde that is dodecane in which two hydrogens attached to a terminal carbon are replaced by an oxo group. It has a role as a plant metabolite. It is a medium-chain fatty aldehyde, a long-chain fatty aldehyde and a 2,3-saturated fatty aldehyde. It derives from a hydride of a dodecane.

Namen und Bezeichner

Bevorzugter Name: Dodecanal
IUPAC: dodecanal
Englischer Name: 1-Dodecanal
Summenformel: C12H24O
Molmasse: 184.31836

Namen und Synonyme

DODECANALDodecyl aldehyde112-54-9LauraldehydeLauric aldehydeLauryl aldehyden-DodecanalDodecanaldehyden-Dodecyl aldehyden-LauraldehydeDuodecylic aldehyden-Dodecylic aldehyde

Weitere Namen anzeigen

LaurylaldehydeC12 aldehydeFEMA No. 2615C42O120SEFNSC-46128CHEMBL2228373DTXSID6021589CHEBI:27836

Datenbank-Bezeichner

CAS: 112-54-9
PubChem CID: 8194
DTXSID: DTXSID6021589
ChEMBL: CHEMBL2228373
ChEBI: CHEBI:27836
UNII: C42O120SEF
EC Number: 203-983-6
Nikkaji: J22.116C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,9
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 10
Schwere Atome: 13
Formalladung: 0
Komplexität: 99,3

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Aldehydes

LipidsFatty Acyls [FA] -> Fatty aldehydes [FA06]

SpringerMaterials PropertiesBoiling point

FragrancesFragrance Ingredient (Lauric aldehyde) -> IFRA transparency List

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density0.826-0.836

Physikochemische Eigenschaften

Schmelzpunkt: 44.5 °C · 44.5 °C
Siedepunkt: 185 °C · 185 °C
Dichte: 0.8352 g/cm3 · 0.8352 g/cm3(Temp: 15 °C)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (99.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2223 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 5 Einträge

Chemical: Dodecanal

Regulation (EC) No 1831/2003 (amended)

Dodecanal is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Dodecanal are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 10-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/13304

Lauraldehyde: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin irritant; [eChemPortal: ERMA] An irritant; [MSDSonline]

Hazard Classes and CategoriesSkin Irrit. 2 (99.7%)