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HCID 8184Erstellt: 27. Oktober 2026

1-Undecanol

https://huagongshe.com/de/chemical/8184

Molekülstruktur von 1-Undecanol

Identifikatoren & physikalische Daten

CAS No.112-42-5
SummenformelC11H24O
Durchschnittliche Molmasse172,31 g/mol
Monoisotopische Masse172,18271539 g/mol
SMILESCCCCCCCCCCCO
InChIKeyKJIOQYGWTQBHNH-UHFFFAOYSA-N
PubChem CID8184
ChEMBLCHEMBL444525
ChEBICHEBI:87499
EC No.203-970-5
DTXSIDDTXSID0026915

Chemische & physikalische Eigenschaften

XLogP4,6
Polarare Oberfläche (TPSA)20,2
H-Brücken-Donoren1
H-Brücken-Akzeptoren1
Frei drehbare Bindungen9
Schwere Atome12
Formalladung0
Komplexität71,4
LipideFatty Acyls [FA] -> Fatty alcohols [FA05]
SolventsSolvents -> Alcohols (<C12)
KosmetikaSkin conditioningAntiseborrhoeic
SpringerMaterials PropertiesBoiling point
DuftstoffeFragrance Ingredient (Undecanol) -> IFRA transparency ListFragrance Ingredient (Undecyl alcohol) -> IFRA transparency List
LogP (Verteilungskoeffizient)log Kow = 4.72
GeruchCitrus
GeschmackFATTY FLAVORCITRUS
LebensmittelzusatzstoffeFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Dichte0.835 at 68 °F (USCG, 1999) - Less dense than waterwill float0.8298 at 20 °C/4 °CRelative density (water = 1): 0.830.820-0.8400.8298 g/cm3
AromastoffeEU Flavoring substances
Viscosity17.2 mPa.s at 20 °C
Schmelzpunkt19 °C
Siedepunkt243 °C
pKa (Säurekonstante)15.20±0.10(Predicted)

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 0.2% (3 of 1933) of reports.WarningH315 (18.6%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1933 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Regulatorische InformationenChemical: 1-UndecanolChemical: Undecanol1-Undecanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Undecanol 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)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 26-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/20961-Undecanol: Does not have an individual approval but may be used under an appropriate group standard
DOT-KennzeichnungClass 9
BrandgefahrenExcerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:Combustible.
GesundheitsgefahrenLiquid can irritate eyes. (USCG, 1999)
GefahrenübersichtHigher alcohols are not highly toxic in the industrial settingCan cause liver injury, somnolence, and respiratory depression in experimental animalsA skin, eye, and respiratory tract irritant[HSDB] Safe when used as a flavoring agent in food[JECFA] An irritant[MSDSonline]A skin, respiratory tract, and severe eye irritantDefats skin[ICSC] A mild skin and eye irritant[CAMEO] See 1-Undecanol.
FDA-Anforderungen
Undecyl alcohol is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: a) they are used in the minimum quantity required to produce their intended effect, and otherwise in accordance with all the principles of good manufacturing practice, and 2) they consist of one or more of the following, used alone or in combination with flavoring substances and adjuvants generally recognized as safe in food, prior-sanctioned for such use, or regulated by an appropriate section in this part.
Reaktive GruppeAlcohols and Polyols
Special ReportsOPDYKE DL JMONOGRAPHS ON FRAGRANCE RAW MATERIALS. ALCOHOL C-11, UNDECYLICFOOD COSMET TOXICOL 16 (SUPPL 1): 641 (1978). A REVIEW WITH 21 REFERENCES ON ALCOHOL C-11 INCLUDING TOXICITY EFFECTS ON TISSUE COMPONENTS, IRRITATION, AND SENSITIZATION.
EPA Safer ChemicalChemical: 1-Undecanol
FIFRA-AnforderungenResidues of nonyl, decyl, and undecyl glycoside mixture with a mixture of nonyl, decyl, and undecyl oligosaccharides and related reaction products (primarily decanol and undecanol) produced as an aqueous-based liquid (50 to 65% solids) from the reaction of primary alcohols (containing 15 to 20% secondary alcohol isomers) in a ratio of 20% C9, 40% C10, and 40% C11 with carbohydrates (average glucose to alkyl chain ratio 1.3 to 1.8) are exempted from the requirement of a tolerance when used as a surfactant in accordance with good agricultural practice as inert (or occasionally active) ingredients in pesticide formulations applied to growing crops or to raw agricultural commodities after harvest.Residues of nonyl, decyl, and undecyl glycoside mixture with a mixture of nonyl, decyl, and undecyl oligosaccharides and related reaction products (primarily decanol and undecanol) produced as an aqueous-based liquid (50 to 65% solids) from the reaction of primary alcohols (containing 15 to 20% secondary alcohol isomers) in a ratio of 20% C9, 40% C10, and 40% C11 with carbohydrates (average glucose to alkyl chain ratio 1.3 to 1.8) are exempted from the requirement of a tolerance when used as a surfactant in accordance with good agricultural practice as inert (or occasionally active) ingredients in pesticide formulations applied to animals.
Reactivity Profile1-UNDECANOL is an alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.
Air and Water ReactionsSlightly soluble in water.
BrandbekämpfungExcerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:Use water spray, powder, alcohol-resistant foam, carbon dioxide.
Erste-Hilfe-MaßnahmenFresh air, rest. Refer for medical attention.Remove contaminated clothes. Rinse and then wash skin with water and soap.First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.Rinse mouth. Do NOT induce vomiting. Give one or two glasses of water to drink. Refer for medical attention .
Erste HilfeWash eyes with water for at least 15 min. (USCG, 1999)
Sichere LagerungWell closed.
ReinigungsverfahrenAEROBIC: Using acclimated mixed microbial cultures, the theoretical and 5-day BOD for 1-undecanol were determined to be 16.50% and 4.5 mmol/mmol chemical, respectively(1). After 5 days at 21 °C in sewage, the theoretical BOD for 1-undecanol was 27.6%(2). 1-Undecanol had a zero order biodegradation rate of 0.125 ppm/hour and a first order biodegradation rate constant of 6.1X10-3/hour by activated sludge(3). Using this biodegradation rate constant a half-life of 4.7 days can be calculated(SRC).
Freisetung ohne BrandExcerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
EntsorgungsverfahrenSRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in soil or watereffects on animal, aquatic, and plant lifeand conformance with environmental and public health regulations.
Verschüttetes entsorgenPersonal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking and spilled liquid in covered containers as far as possible.
Isolation and EvacuationExcerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
Eye PreventionWear safety goggles or eye protection in combination with breathing protection.
Fire PreventionNO open flames.
Inhalation RiskNo indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
WechselwirkungenALCOHOL-INDUCED NUTRITIONAL ENCEPHALOMALACIA IN STARTING CHICKS COULD BE COMPLETELY PREVENTED BY DIETARY SUPPLEMENTATION OF D,L-ALPHA-TOCOPHERYL ACETATE.WITH USE OF SURFACTANTS EG TWEEN 80, ALCOHOL EMULSIONS WERE PHYTOTOXIC ONLY TO YOUNG MERISTEMATIC TISSUE. WITHOUT THE SURFACANT, C11 ALCOHOLS & ESTERS SHOWED NONSELECTIVE TISSUE KILL.
ÖkotoxizitätswerteLC50 Pimephales promelas (Fathead minnow, weight 0.12 g) 1.04 mg/L/96 hrflow-through bioassay, water hardness 45.5 mg/L CaCO3, temp: 25 +/- 1 °C, pH 7.5, dissolved oxygen >60% of saturationLC50 Nitocra spinipes (Harpacticoid copepod) 1.4 mg/L/96 hr (95% confidence limit: 1.1-1.8 mg/L)static /formulated product/LC50 Alburnus alburnus (Bleak) 4.6 mg/L/96 hr (95% confidence limit: 4.2-5.1 mg/L)EC50 Tetrahymena pyriformis (Ciliatedecreased population growth) 2.3 mg/L/48 hr (95% confidence limit: 1.88-2.75 mg/L)
UmweltverhaltenTERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 8,800(SRC), determined from a log Kow of 4.72(2) and a regression-derived equation(3), indicates that 1-undecanol is expected to be immobile in soil(SRC). Volatilization of 1-undecanol from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 7.3X10-5 atm-cu m/mole(SRC), using a fragment constant estimation method(4). However, adsorption to soil is expected to attenuate volatilization(SRC). 1-Undecanol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 2.97X10-3 mm Hg(5). The theoretical BOD for 1-undecanol was 27.6% after 5-day incubation in sewage(6), indicating that biodegradation may be an important environmental fate process in soil(SRC).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 8,800(SRC), determined from a log Kow of 4.72(2) and a regression-derived equation(3), indicates that 1-undecanol is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 7.3X10-5 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 20 hours and 10 days, respectively(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 9 months if adsorption is considered(5). According to a classification scheme(6), an estimated BCF of 86(SRC), from its log Kow(2) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is moderate(SRC). The theoretical BOD for 1-undecanol was 27.6% after 5-day incubation in sewage(8), indicating that biodegradation may be an important environmental fate process in water(SRC).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1-undecanol, which has a vapor pressure of 2.97X10-3 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 1-undecanol is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC)the half-life for this reaction in air is estimated to be 23 hours(SRC), calculated from its rate constant of 1.7X10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3).
Lebensmitteluntersuchungswerte1-Undecanol was identified as a volatile component of beef(1).
Unerwünschte WirkungenNeurotoxin - Acute solvent syndrome
Signs and SymptomsCough.Dry skin. Redness. Roughness. Pain.Redness. Pain. Blurred vision.Nausea. Vomiting. Diarrhoea.
Effluent Concentrations1-Undecanol was reported at 17 ng/ul of extract in 1 occurrence from the organic chemical industry(1).
ICSC Environmental DataEnvironmental effects from the substance have not been investigated adequately.
Soil Adsorption/MobilityThe Koc of 1-undecanol is estimated as 8,800(SRC), using a log Kow of 4.72(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 1-undecanol is expected to be immobile in soil.
Natural Pollution SourcesREPORTED FOUND IN NATURE (CITRUS FRUITS).
Human Toxicity Excerpts/SIGNS AND SYMPTOMS/ The substance is severely irritating to the eyes, and is irritating to the skin and the respiratory tract.
Fish/Seafood Concentrations1-Undecanol was qualitatively identified in Lake Michigan lake trout at Charlevoix, MI on 9/25/77(1).
AlarmwortWarnung
GefahrenhinweiseCode Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H319