Undecan-2-ol
(+-)-2-Undecanol
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Grundinformationen
- CAS
1653-30-1- Standard-SMILES
CCCCCCCCCC(C)O- InChIKey
XMUJIPOFTAHSOK-UHFFFAOYSA-N- Summenformel
- C11H24O
- Durchschnittliche Molmasse
- 172,31 g/mol
- Monoisotopische Masse
- 172,18271539
Überblick
Undecan-2-ol is a secondary alcohol that is undecane substituted by a hydroxy group at position 2. It has a role as a pheromone, a volatile oil component, a flavouring agent, an animal metabolite and a plant metabolite. It is an undecanol and a secondary alcohol.
Namen und Bezeichner
- Bevorzugter Name
- (+-)-2-Undecanol
- IUPAC
- undecan-2-ol
- Lokaler Name
- Undecan-2-ol
- Englischer Name
- 2-Undecanol
- Summenformel
- C11H24O
- Molmasse
- 172.31
Namen und Synonyme
2-UNDECANOLUndecan-2-ol1653-30-12-Hendecanol2-Hydroxyundecanesec-Undecyl AlcoholFEMA No. 324649PCZ1S7LYCHEBI:77930(+-)-2-UndecanolDTXSID2058673RefChem:483844
Weitere Namen anzeigen
FEMA 3246See A14441DL-2-UNDECANOL(±)-undecan-2-ol2-UNDECANOL 99+%2-UNDECANOL, 98+%
DTXCID107962216-722-6Methyl nonyl carbinol113666-64-1MFCD00021958Undecylic alcohol, sec-METHYLNONYLCARBINOL(+)-2-Undecanol
Datenbank-Bezeichner
- CAS
1653-30-1- PubChem CID
- 15448
- DTXSID
DTXSID2058673- ChEMBL
CHEMBL4633278- ChEBI
CHEBI:77930- UNII
- 49PCZ1S7LY
- EC Number
- 216-722-6
- Nikkaji
- J102.385C
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 4,5
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 81,1
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
SolventsSolvents -> Alcohols (<C12)
FragrancesFragrance Ingredient (2-Undecanol) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.828-0.831 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility
0.197 mg/mL at 25 °C
insoluble in water; soluble in alcohol and ether
(in ethanol)
Boiling Point
232.00 to 233.00 °C. @ 760.00 mm Hg
233 °C
Melting Point-11.00 to -9.00 °C. @ 760.00 mm Hg
Refractive Index
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 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 128 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 2-Undecanol
2-Undecanol: 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
Hazards SummaryAn irritant; [MSDSonline] See 1-Undecanol.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Toxikologische Informationen
Adverse EffectsNeurotoxin - Acute solvent syndrome
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3082 9/PG 3
- hs_code
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information2-Undecanol: ACTIVE
Anwendungen
OccurrenceThe l-form is reportedly found in rue oil and in the essential oil of Litsea odorifera, the d-form occurs in coconut. Also reported found in fresh apple, banana, papaya, strawberry fruit, chive, roasted onion, ginger, other types of ginger, cheddar cheese, Camembert cheese, Gruyere cheese, cognac, Curcuma aeruginosa Roxb., Curcuma heyneana Val., hop oil, coconut, meat, milk, mushroom and sweet corn.
Verwenden2-Undecanol is a useful chemical reagent. It is reported that 2-Undecanol can be converted into aldehyde or ketone under mild conditions in the presence of a copper-based catalyst.
Darstellung
synthetischeBy reduction of methyl nonyl ketone with sodium metal in alcohol; the d-form is isolated from the optically inactive material via the corresponding phthalate and in its salt with strychnine and brucine.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
6
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