[1R-(1α,2β,5α)]-p-menthylphenylacetat
(-)-Menthyl phenylacetate
Grundinformationen
- CAS
26171-78-8- Standard-SMILES
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)Cc1ccccc1- InChIKey
GIFKSWTZIAVRIG-HYVNUMGLSA-N- Summenformel
- C18H26O2
- Durchschnittliche Molmasse
- 274,4 g/mol
- Monoisotopische Masse
- 274,19328007
Namen und Bezeichner
- Bevorzugter Name
- (-)-Menthyl phenylacetate
- IUPAC
- [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-phenylacetate
- Lokaler Name
- [1R-(1α,2β,5α)]-p-menthylphenylacetat
- Englischer Name
- [1R-(1alpha,2beta,5alpha)]-p-menthyl phenylacetate
- Summenformel
- C18H26O2
- Molmasse
- 274.4
Namen und Synonyme
1-Menthyl phenylacetate26171-78-8Benzeneacetic acid, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl esterL-Menthyl phenylacetate(-)-Menthyl phenylacetateEINECS 247-498-8Menthol phenylacetate, (1R,3R,4S)-(-)-DTXSID40885338Benzeneacetic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1R-(1-alpha,2-beta,5-alpha))-Benzeneacetic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1theta-(1alpha,2beta,5alpha))-RefChem:390971DTXCID101024723
Weitere Namen anzeigen
MENTHYLPHENYLACETATE1-MENTHYLPHENYLACETATElaevo-menthyl phenyl acetate[1R-(1α,2β,5α)]-p-menthyl phenylacetate[1R-(1alpha,2beta,5alpha)]-p-menthylphenylacetat[1R-(1alpha,2beta,5alpha)]-p-menthyl phenylacetateBenzeneacetic acid (1R)-5β-methyl-2α-isopropylcyclohexan-1β-yl ester
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-phenylacetateGIFKSWTZIAVRIG-HYVNUMGLSA-GIFKSWTZIAVRIG-HYVNUMGLSA-N(1R-(1alpha,2beta,5alpha))-p-Menthyl phenylacetate(1R,2S,5R)-5-Methyl-2-(propan-2-yl)cyclohexyl phenylacetateInChI=1/C18H26O2/c1-13(2)16-10-9-14(3)11-17(16)20-18(19)12-15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3/t14-,16+,17-/m1/s1
Datenbank-Bezeichner
- CAS
26171-78-8- PubChem CID
- 9993505
- DTXSID
DTXSID40885338- EC Number
- 247-498-8
- Nikkaji
- J219.556I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,2
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 20
- Formalladung
- 0
- Komplexität
- 305
Physikochemische Eigenschaften
- Siedepunkt
- 377.38 °C · 377.38°C (rough estimate)
- Dichte
- 0.9965 · 0.9965 (rough estimate)
- Brechungsindex
- 1.551 · 1.5510 (estimate)
- Aggregatzustand
- Colorless, slightly viscous liquid.
- Wasserlöslichkeit
- Insoluble in water, soluble in alcohol, miscible with most oils. Poorly soluble in Propylene glycol, almost insoluble in Glycerin.
- Kosmetik-Inhaltsstoffe Funktionen
- PERFUMING
- LogP
- 5.817 · 5.817 (est)
- EPA chemische Informationen
- Benzeneacetic acid, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester (26171-78-8)
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: Benzeneacetic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-(1.alpha.,2.beta.,5.alpha.)]-
Benzeneacetic acid, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzeneacetic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-(1.alpha.,2.beta.,5.alpha.)]-: Human health tier I assessment
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationBenzeneacetic acid, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester: INACTIVE
Anwendungen
VerwendenPossibly a minor component of Peppermint oil, laevo-menthyl phenyl acetate has found occasional use in perfume compositions where its mild-floral and extremely sweet and tenacious notes can be useful, e.g., in Frangipani, Honeysuckle, Oriental fragrance types, etc. It gives interesting and useful effects in Cassie bases and blends very well with the Ionones, "rose alcohols,” Patchouli oil, Styrax, etc. Laevo-menthyl phenyl acetate remains a rare and infrequently used material, and its use in flavours is equally unconventional.
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