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HCID 27867Erstellt: 27. Oktober 2026

Menthylacetat

2-Isopropyl-5-methylcyclohexyl acetate · l-Menthol acetate · MENTHYL ACETATE (ISOMER UNSPECIFIED) · FEMA 2668 · femanumber:2668 · mentholaceticester · MENTHYL ACETATE, L- · (-)-ACETOXY-P-MENTHANE

https://huagongshe.com/de/chemical/27867

Molekülstruktur von Menthylacetat

Identifikatoren & physikalische Daten

CAS No.16409-45-3
SummenformelC12H22O2
Durchschnittliche Molmasse198,3 g/mol
Monoisotopische Masse198,16197994 g/mol
SMILESCC(=O)OC1CC(C)CCC1C(C)C
InChIKeyXHXUANMFYXWVNG-UHFFFAOYSA-N
PubChem CID27867
ChEMBLCHEMBL254585
ChEBICHEBI:191550
EC No.201-911-8
DTXSIDDTXSID20859153
Lokaler NameMenthylacetat

Chemische & physikalische Eigenschaften

XLogP3,6
Polarare Oberfläche (TPSA)26,3
H-Brücken-Donoren0
H-Brücken-Akzeptoren2
Frei drehbare Bindungen3
Schwere Atome14
Formalladung0
Komplexität198
StoffklassenBiological Agents -> Plant Oils and Extracts
KosmetikaMaskingRefreshing
SpringerMaterials PropertiesBoiling point
DuftstoffeFragrance Ingredient (Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1a,2a,5b)-) -> IFRA transparency ListFragrance Ingredient (dl-Menthyl acetate) -> IFRA transparency ListFragrance Ingredient (l-Menthyl acetate (1alpha,2beta,5alpha)) -> IFRA transparency ListFragrance Ingredient (Menthyl acetate (1alpha,2beta,5alpha)) -> IFRA transparency ListFragrance Ingredient (Menthyl acetate (isomer unspecified)) -> IFRA transparency List
GeruchEARTHY, WEEDY, FRUITY, BERRY-LIKE ODOR
GeschmackEARTHY, WEEDY, FRUITY, BERRY-LIKE TASTE
LebensmittelzusatzstoffeFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Dichtedl-, (-)- 0.919-0.9240.92 g/mL at 25 °C(lit.)
AromastoffeEU Flavoring substances
Löslichkeitsoluble in alcohol, propylene glycol, most fixed oilsslightly soluble in water, glycerol1 ml in 6 ml 70% alcohol1 ml in 1 ml 80% alcohol (in ethanol)
Siedepunkt227 °C227-228 °C229-230 °C(lit.)
DecompositionWhen heated to decomposition it emits acrid smoke and irritating vaors.
Schmelzpunkt<25 °C
FEMA2668 | MENTHYL ACETATE (ISOMER UNSPECIFIED)
Brechungsindexn20/D 1.447(lit.)
Flammpunkt171 °F
Geruchat 100.00 %. tea cooling minty fruity berry
Geruchsartmentholic
Biologische Quellesynthetic
JECFA Number431
Henry-Konstante1.2×10-2 mol/(m3Pa) at 25℃, HSDB (2015)
Hauptanwendungenflavors and fragrances
InChI1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3
InChIKeyXHXUANMFYXWVNG-UHFFFAOYSA-N
SMILESCC(C)C1CCC(C)CC1OC(C)=O
LogP (Verteilungskoeffizient)4.10
CAS Datenbank16409-45-3(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for < 0.1% (1 of 1657) of reports.H411 (> 99.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1657 reports by companies from 5 notifications to the ECHA C&L Inventory.H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Regulatorische InformationenChemical: Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1R,2S,5R)-rel-Chemical: Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, [1R-(1.alpha.,2.beta.,5.alpha.)]-Chemical: Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetateRegulation (EC) No 1831/2003 (amended)Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1R,2S,5R)-rel- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1R,2S,5R)-rel- 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)REACH registered substance: Menthyl acetate (EC: 201-911-8)
Weitere SicherheitsinformationenIMAP assessments - Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, [1R-(1.alpha.,2.beta.,5.alpha.)]-: Human health tier I assessmentIMAP assessments - Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate: Human health tier I assessmentIMAP assessments - Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1R,2S,5R)-rel-: Human health tier I assessment
GefahrenübersichtEmergency treatment: Peppermint oil[HSDB] Mild skin irritant in rabbits[RTECS] Peppermint oil causes CNS depression and hypothermia in rat feeding studies[Haddad, p. 1439]
FDA-AnforderungenMenthyl acetate is a food additive permitted for direct addition to food for human consumption, as long as 1) the quantity added to food does not exceed the amount reasonably required to accomplish its intended physical, nutritive, or other technical effect in food, and 2) when intended for use in or on food it is of appropriate food grade and is prepared and handled as a food ingredient. Isobutyl acetate synthetic flavoring substances & adjuvants may be safely used in food in accordance with the following conditions ... They consist of one or more of the following /substances including isobutyl acetate/ used alone or in combination with flavoring substances generally recognized as safe in food, or regulated by an appropriate section in this part.

Anwendungen & Verwendung

Occurrence

Reported as a normal constituent of peppermint oil in varying amounts, depending on the source; the synthetic product is optically levorotatory; the commercial product is optically inactive.

Verwenden

L-Menthyl Acetate is a component of essential oils extracted from natural sources.

Herstellung & Synthese

synthetische

By reacting acetic anhydride with menthol in the presence of anhydrous sodium acetate.

Hazard Classes and CategoriesAquatic Chronic 2 (> 99.9%)Aquatic Chronic 2 (99.5%)Aquatic Chronic 2 (100%)
EntsorgungsverfahrenSRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
UmweltverhaltenTERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 5800(SRC), determined from an estimated log Kow of 4.39(2,SRC) and a regression-derived equation(3), indicates that menthyl acetate is expected to be immobile in soil(SRC). Volatilization of menthyl acetate from moist soil surfaces is expected to occur(SRC) given an estimated Henry's Law constant of 8.3X10-4 atm-cu m/mole(SRC), using a fragment constant estimation method(4). However, volatilization from moist soil surfaces is expected to be attenuated by adsorption to organic matter(SRC). In general, acetates are expected to be readily biodegradable(SRC).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 5800(SRC), determined from an estimated log Kow of 4.39(2,SRC) and a regression-derived equation(3), indicates that menthyl acetate is expected to adsorb to suspended solids and sediment in water(SRC). Menthyl acetate is expected to volatilize from water surfaces(3,SRC) based on an estimated Henry's Law constant of 8.3X10-4 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Estimated volatilization half-lives for a model river and model lake are 5.6 hours and 6.0 days, respectively(3,SRC). However, adsorption to suspended solids and sediment in the water column is expected to attenuate this process(SRC). The volatilization half-life from a model pond 2 m deep is estimated to be about 2.7 days ignoring adsorption(5)when considering maximum adsorption, the volatilization half-life increases to 94 days(5). According to a classification scheme(6), an estimated BCF of 1300(3,SRC), from an estimated log Kow(2,SRC), suggests the potential for bioconcentration in aquatic organisms is very high(SRC). In general, acetates are expected to be readily biodegradable(SRC).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), menthyl acetate, which has a vapor pressure of 0.10 mm Hg at 25 °C(2,SRC), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase menthyl acetate 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 21 hours(3,SRC).
Unerwünschte WirkungenNeurotoxin - Other CNS neurotoxin
Soil Adsorption/MobilityThe Koc of menthyl acetate is estimated as approximately 5800(SRC), using an estimated log Kow of 4.39(1,SRC) and a regression-derived equation(2,SRC). According to a classification scheme(3), this estimated Koc value suggests that menthyl acetate is expected to be immobile in soil(SRC).
Natural Pollution SourcesMenthyl acetate is present in peppermint oil(1).
Artificial Pollution SourcesMenthyl acetate's production and use in perfumery(1) may result in its release to the environment through various waste streams(SRC).
Environmental BioconcentrationAn estimated BCF of 1300 was calculated for menthyl acetate(SRC), using an estimated log Kow of 4.39(1,SRC) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is very high(SRC).
Volatilization from Water/SoilThe Henry's Law constant for menthyl acetate is estimated as 8.3X10-4 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that menthyl acetate is expected to volatilize from water surfaces(2,SRC). Based on this Henry's Law constant, the estimated volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) is approximately 5.6 hours(2,SRC). The estimated volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is approximately 6.0 days(2,SRC). The volatilization half-life from a model pond 2 m deep is estimated to be about 2.7 days ignoring adsorption(3)when considering maximum adsorption, the volatilization half-life increases to 94 days(3). Menthyl acetate's Henry's Law constant(1,SRC) indicates that volatilization from moist soil surfaces may occur(SRC).
Environmental Abiotic DegradationThe rate constant for the vapor-phase reaction of menthyl acetate with photochemically-produced hydroxyl radicals has been estimated as 1.8X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1,SRC). This corresponds to an atmospheric half-life of about 21 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1,SRC). A base-catalyzed second-order hydrolysis rate constant of 3.0X10-2 L/mol-sec(SRC) was estimated using a structure estimation method(2)this corresponds to half-lives of 7.3 years and 270 days at pH values of 7 and 8, respectively(2,SRC).
Probable Routes of Human ExposureOccupational exposure to menthyl acetate may occur through inhalation and dermal contact with this compound at workplaces where menthyl acetate is produced or used. The general population may be exposed to menthyl acetate via inhalation and dermal contact with consumer products, such as perfumes, containing menthyl acetate, and via ingestion of food. (SRC)
Environmental Water ConcentrationsDRINKING WATER: Menthyl acetate was qualitatively detected in drinking water in Seattle, WA in 1976(1).
Environmental Fate/Exposure SummaryMenthyl acetate is present in peppermint oil. Menthyl acetate's production and use in perfumery may result in its release to the environment through various waste streams. If released to air, a vapor pressure of 0.10 mm Hg at 25 °C indicates menthyl acetate will exist solely as a vapor in the ambient atmosphere. Vapor-phase menthyl acetate will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicalsthe half-life for this reaction in air is estimated to be 21 hours. If released to soil, menthyl acetate is expected to have no mobility based upon an estimated Koc of 5800. Volatilization from moist soil surfaces may occur based upon an estimated Henry's Law constant of 8.3X10-4 atm-cu m/mole. However, adsorption to organic matter is expected to attenuate this process. If released into water, menthyl acetate is expected to adsorb to suspended solids and sediment in water based on the estimated Koc. Volatilization from water surfaces may be an important fate process based on the estimated Henry's Law constant. Estimated volatilization half-lives for a model river and model lake are 5.6 hours and 6.0 days, respectively. However, adsorption to suspended solids and sediment in the water column is expected to attenuate this process. An estimated BCF of 1300 suggests the potential for bioconcentration in aquatic organisms is very high. Estimated hydrolysis half-lives of 270 days and 7.3 years at pH values of 8 and 7, respectively, suggest hydrolysis is not expected to be an important process. In general, acetates are expected to be readily biodegradable. Occupational exposure to menthyl acetate may occur through inhalation and dermal contact with this compound at workplaces where menthyl acetate is produced or used. The general population may be exposed to menthyl acetate via inhalation and dermal contact with consumer products, such as perfumes, containing this compound, and via ingestion of food. (SRC)
Wassergefährdungsklasse (WGK)3
RTECS-Nr.AI5900000
Toxizitätrabbit,LD50,skin,> 5gm/kg (5000mg/kg),Food and Cosmetics Toxicology. Vol. 14, Pg. 479, 1976.
Lagerklasse10 - Combustible liquids
Gefahrstoffdaten16409-45-3(Hazardous Substances Data)
GefahrenklasseAquatic Chronic 2