Undecanal
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Grundinformationen
- CAS
112-44-7- Standard-SMILES
CCCCCCCCCCC=O- InChIKey
KMPQYAYAQWNLME-UHFFFAOYSA-N- Summenformel
- C11H22O
- Durchschnittliche Molmasse
- 170,29 g/mol
- Monoisotopische Masse
- 170,16706532
Überblick
Undecanal is a saturated fatty aldehyde formally arising from reduction of the carboxylic acid group of undecanoic acid. It is a component of essential oils from citrus plants like Citrus reticulata. It has a role as a volatile oil component, an antimycobacterial drug and a plant metabolite. It is a n-alkanal, a saturated fatty aldehyde and a medium-chain fatty aldehyde. It is a tautomer of an undec-1-en-1-ol.
Namen und Bezeichner
- Bevorzugter Name
- Undecanal
- IUPAC
- undecanal
- Englischer Name
- Undecanal
- Summenformel
- C11H22O
- Molmasse
- 170.29
Namen und Synonyme
UNDECANAL112-44-7Undecyl aldehydeUndecanaldehyden-UndecanalUndecylic aldehyde1-UndecanalHendecanalHendecanaldehydeUndecylaldehyden-Undecyl aldehydeC11 aldehyde
Weitere Namen anzeigen
ALDEHYDE C-11ALDEHYDE C-11 UNDECYLICFEMA 3092UndecanylaldehydeUndecal
FEMA No. 3092Undecanone, alpha-B6P0A9PSHNDTXSID4021688DTXCID901688NSC-22578CHEBI:46202RefChem:193068
Datenbank-Bezeichner
- CAS
112-44-7- PubChem CID
- 8186
- DTXSID
DTXSID4021688- ChEMBL
CHEMBL1236576- ChEBI
CHEBI:46202- UNII
- B6P0A9PSHN
- EC Number
- 203-972-6
- Nikkaji
- J61.748B
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 4,3
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 89
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Aldehydes
DrugsPharmaceuticals -> Listed in ZINC15
LipidsFatty Acyls [FA] -> Fatty aldehydes [FA06]
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Undecanal) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.825-0.832
Flavoring AgentsEU Flavoring substances
Solubility
soluble in most fixed oils, propylene glycol; insoluble in glycerol, water
1 ml in 5 ml of 70% alcohol (in ethanol)
Endocrine DisruptorsPotential endocrine disrupting compound
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 (84%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1877 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Undecanal
Undecanal is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Undecanal 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: 22-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10847
Undecanal: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A mild skin irritant; [RTECS] n-Alkyl Aldehydes: Category members and supporting chemicals demonstrate skin and eye irritation; No evidence of skin sensitization; Low acute toxicity by dermal and oral exposure; Moderate acute inhalation toxicity; Moderate to high toxicity by repeated inhalation exposures; Moderate toxicity by repeated-dose oral administration; Low hazards for reproductive and developmental toxicity; [EPA ChAMP: Hazard Characterization] Safe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (84%)
Sicherheitsdaten
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Verwendung und Herstellung
UsesUsed as flavoring agent or adjuvant; [FDA]
U.S. Production2023: 10,000,000 - <25,000,000 lb
Consumer UsesFragrance
Industry UsesIntermediate
Household ProductsInformation on 13 consumer products that contain Undecanal in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Undecanal: ACTIVE
Anwendungen
OccurrenceReported found in essential oils of citrus peels, lemon, caviar, cooked beef, chicken, lamb, pork, coriander leaf, cucumber, fish, grapefruit juice, apple, orange juice, bilberry, cranberry, raspberry, blackberry, carrot, celery, baked potato, Gruyere cheese, Russian cheese, butter, milk, fatty fish, hop oil, beer, cognac, tea, peanut oil, pecan, starfruit, coriander seed, rice, calamus, buckwheat, red sage, loganberry and maté.
Undecanal is a flavoring agent that is a liquid, colorless or pale yellow, with a sweet odor. it is soluble in most fixed oils, mineral oil, and propylene glycol; insoluble in glycerin. it is obtained by chemical synthesis. it is also termed aldehyde c-11 undecyclic and n-undecyl aldehyde.
Zugehörige Reaktionen
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