Menthyl acetate - ≥98% , CAS No.89-48-5

CAS: 89-48-5 Cat. No.: M304849 Formule: C₁₂H₂₂O₂ Poids moléculaire: 198.3 Numéro CE: 201-911-8

GRADE & PURITY ≥98%

Synonyms

Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1alpha,2alpha,5beta)- | Cyclohexanol, acetate, (1.alpha.,2.alpha.,5.beta.)- | FT-0604526 | Menthol, neo- | Menthyl acetate, primary pharmaceutical reference standard | SCHEMBL57396 | (.+/-.)-Menthol ace

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Product Introduction

Menthyl acetate (MA), a monoterpene is one of the main constituent of the peppermint essential oil obtained from the leaves of Mentha piperita. It has been reported to show ambulation-promoting effect in mice.Its fumigant and repellent activity has been evaluated on first-instar nymphs of the bloodsucking bug Rhodnius prolixus. The decomposition of MA in an atmospheric flow reactor and a low-pressure flat flame has been investigated by molecular-beam mass spectrometry (MBMS).

Product Usage

Menthyl acetate may be used in the preparation of 3-amino-2-hydroxyalkanoates via lithium amide-supported Mannich-type reaction of its lithium enolate with PMP-arylaldimines (PMP=p-methoxyphenyl) followed by in situ oxidation with oxaziridine.

Specifications

Synonymes

Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1alpha,2alpha,5beta)- | Cyclohexanol, acetate, (1.alpha.,2.alpha.,5.beta.)- | FT-0604526 | Menthol, neo- | Menthyl acetate, primary pharmaceutical reference standard | SCHEMBL57396 | (.+/-.)-Menthol ace

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504753368

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753368

Sourires canoniques

CC1CCC(C(C1)OC(=O)C)C(C)C

IUPAC Name

(5-methyl-2-propan-2-ylcyclohexyl) acetate

InChIKey

XHXUANMFYXWVNG-UHFFFAOYSA-N

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

Isomères SMILES

CC1CCC(C(C1)OC(=O)C)C(C)C

Poids moléculaire

198.3

Reaxy-Rn

8265218

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8265218&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Menthane monoterpenoids
• Alternative Parents: Monocyclic monoterpenoids Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: P-menthane monoterpenoid - Monocyclic monoterpenoid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes.
• External Descriptors: a monoterpenol acetate ester

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Cibles associées (non humaines)

Culex pipiens (191 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Chloroform (Slightly), Methanol (Slightly)
• Indice de réfraction: n20/D 1.447 (lit.)
• Point d'éclair (°C): 92ºC
• Point d'ébullition (°C): 228-229ºC
• Poids moléculaire: 198.300 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 198.162 Da
• Monoisotopic Mass: 198.162 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 198.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 89-48-5, the molecular formula is C12H22O2, and the molecular weight is 198.3 g/mol. InChIKey XHXUANMFYXWVNG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.