(+)-Neomenthol - ≥96%(GC) , CAS No.2216-52-6

CAS: 2216-52-6 Cat. No.: N158923 Peso molecular: 156.27 Beilstein Registry Number: 2037490 Número EC: 218-691-4

GRADE & PURITY ≥96%(GC)

Synonyms

Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2R,5S)-rel- | FT-0659190 | DTXSID9044326 | W-202827 | (1S,2S,5R)-Menthol | J-500420 | EINECS 207-723-2 | Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1S-(1alpha,2alpha,5beta))- | AKOS015895932 | Cyclohexanol,5

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

(1S,2S,5R)-(+)-Neomenthol is a monoterpenoid compoundfound in the peppermint herb, Mentha piperita L. This menthol isomer is generally used as an additive in oral hygiene products and as a flavoring agent in food and beverages.

Specifications

Sinónimos

Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R, 2R, 5S)-rel- | FT-0659190 | DTXSID9044326 | W-202827 | (1S, 2S, 5R)-Menthol | J-500420 | EINECS 207-723-2 | Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1S-(1alpha, 2alpha, 5beta))- | AKOS015895932 | Cyclohexanol, 5

Especificaciones y pureza

≥96%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥96%(GC)

Nombres e identificadores

• Pubchem Sid: 504758697
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758697
• Sonrisas canónicas: CC1CCC(C(C1)O)C(C)C
• IUPAC Name: (1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol
• InChIKey: NOOLISFMXDJSKH-UTLUCORTSA-N
• INCHI: 1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10+/m1/s1
• Isómeros SMILES: C[C@@H]1CC[C@H]([C@H](C1)O)C(C)C
• WGK Alemania: 3
• RTECS: OT0450000
• Peso molecular: 156.27
• Beilstein: 2037490
• Reaxy-Rn: 1902288
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1902288&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Menthane monoterpenoids
• Alternative Parents: Monocyclic monoterpenoids Cyclohexanols Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: P-menthane monoterpenoid - Monocyclic monoterpenoid - Cyclohexanol - Cyclic alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic homomonocyclic compound
• Descripción: 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: Menthane monoterpenoids

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

Objetivos asociados (humanos)

UGT1A4 Tbio UDP-glucuronosyltransferase 1A4 (288 Activities)

Discover Target: UGT1A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

UGT1A6 Tbio UDP-glucuronosyltransferase 1-6 (221 Activities)

Discover Target: UGT1A6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Colletotrichum gloeosporioides (560 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light sensitive
• Índice de refracción: n20/D 1.461 (lit.)
• Rotación específica [α]: [α]22/D +17.3°, neat
• Punto de inflamación (°F): 181.4 °F
• Punto de inflamación (°C): 82°C(lit.)
• Punto de ebullición (°C): 95 °C/12 mmHg
• Punto de fusión (°C): −22 °C (lit.)
• Peso molecular: 156.260 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 156.151 Da
• Monoisotopic Mass: 156.151 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 120.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1