(+)-Menthyl acetate
Grundinformationen
- CAS
5157-89-1- Standard-SMILES
CC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C- InChIKey
XHXUANMFYXWVNG-WCQGTBRESA-N- Summenformel
- C12H22O2
- Durchschnittliche Molmasse
- 198,3 g/mol
- Monoisotopische Masse
- 198,16197994
Überblick
menthyl acetate has been reported in Minthostachys mollis, Origanum cordifolium, and other organisms with data available.
Namen und Bezeichner
- Bevorzugter Name
- (+)-Menthyl acetate
- IUPAC
- [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] acetate
- Englischer Name
- (1S)-(+)-MENTHYL ACETATE
- Summenformel
- C12H22O2
- Molmasse
- 198.3
Namen und Synonyme
5157-89-1(+)-menthyl acetateDTXSID701026539RefChem:1048972DTXCID401510705(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl acetate(1S)-(+)-Menthyl acetatementhol acetateMFCD00062977[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] acetate(dl)-Menthyl acetate(+-)-Menthol acetate
Weitere Namen anzeigen
(+)-(1S)-MENTHYL ACETATE(1S)-(+)-Menthyl acetate 99%(+)-(1S)-MENTHYL ACETATE, TERPENE STANDA RD2-Isopropyl-5-methylcyclohexyl (1S,2R,5S)-AcetateCyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1S,2R,5S)-
(+-)-Menthyl acetate(.+/-.)-Menthol acetateCYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHYL)-, ACETATE, (1.ALPHA.,2.BETA.,5.ALPHA.)-(+)-Acetoxy-p-menthaneDL-p-Menth-3-yl acetateSCHEMBL891570orb19411742-Isopropyl-5-methylcyclohexyl acetate, (1.alpha.,2.beta.,5.alpha.)-
Datenbank-Bezeichner
- CAS
5157-89-1、89-48-5- PubChem CID
- 62335
- DTXSID
DTXSID701026539- Nikkaji
- J209.374J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,6
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 198
Experimentelle und physikochemische Eigenschaften
CosmeticsRefreshing; Masking
SpringerMaterials PropertiesOptical coefficient
FragrancesFragrance Ingredient (Menthyl acetate (1alpha,2beta,5alpha)) -> IFRA transparency List
Boiling Point228.00 to 229.00 °C. @ 760.00 mm Hg
Melting Point228 - 229 °C
Physical Description
Liquid
Solid
Physikochemische Eigenschaften
- Schmelzpunkt
- 25 °C · <25 °C
- Siedepunkt
- 228 · 228-229 °C (lit.)
- Dichte
- 0.925 g/mL · 0.925 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.446(lit.)
- Flammpunkt
- 198 °F · 198 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Aggregatzustand
- liquid
- Farbe
- Colorless to Almost colorless
- BRN
- 1909419 · 1909419
- InChI
- 1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3/t9-,11+,12-/m0/s1
- InChIKey
- XHXUANMFYXWVNG-WCQGTBRESA-N
- SMILES
- CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(C)=O
- CAS Datenbank
- 5157 · 5157-89-1
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Gefahrenhinweise
Regulatory Information
Chemical: Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1R,2S,5R)-rel-
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)
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1R,2S,5R)-rel-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1R,2S,5R)-rel-: Human health tier I assessment
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2915.39.9000
- safety_code
- 24/25
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Verwendung und Herstellung
U.S. Production2023: 10,342 lb
Consumer UsesFragrance
Industry UsesFragrance
Use Classification
Fragrance Ingredients
Cosmetics -> Refreshing; Masking
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-acetate, (1R,2S,5R)-rel-: ACTIVE
Anbieter22 Anbieter
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