(+)-Pulegone - ≥85%(GC) , CAS No.89-82-7

CAS: 89-82-7 Cat. No.: P160622 Summenformel: C₁₀H₁₆O Molekulargewicht: 152.24 EG-Nummer: 201-943-2 PubChem CID: 442495

GRADE & PURITY ≥85%(GC)

Synonyms

(5R)-5-methyl-2-(propan-2-ylidene)cyclohexanone | (R)-5-methyl-2-(propan-2-ylidene)cyclohexanone | C09893 | DTXCID6030312 | Pulegone,(S) | SCHEMBL38305 | doi:10.14272/NZGWDASTMWDZIW-MRVPVSSYSA-N.1 | R-(+)-Pulegone | STK801810 | DTXCID405975 | Tox21_200206

Storage

Store at 2-8°C

Shipped In

Wet ice

Übersicht

(R)-(+)-Pulegone, a monoterpene ketone found in essential oil of pennyroyal,[1] can induce abortion.
(R)-(+)-Pulegone may be used as a starting material to synthesize: · (2S,4R,6R,8S)-2,4,8-trimethyl-1,7-dioxaspiro[5.5]undecane, a spiroketal · (R)-(+)-citronellic acid, an intermediate to prepare leucine-d3 · (+)-fawcettidine, a Lycopodium alkaloid

Specifications

Synonyme

(5R)-5-methyl-2-(propan-2-ylidene)cyclohexanone | (R)-5-methyl-2-(propan-2-ylidene)cyclohexanone | C09893 | DTXCID6030312 | Pulegone,(S) | SCHEMBL38305 | doi:10.14272/NZGWDASTMWDZIW-MRVPVSSYSA-N.1 | R-(+)-Pulegone | STK801810 | DTXCID405975 | Tox21_200206

Spezifikationen & Reinheit

≥85%(GC)

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥85%(GC)

Namen und Kennungen

• Pubchem Sid: 504758784
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758784
• Kanonisches Lächeln: CC1CCC(=C(C)C)C(=O)C1
• IUPAC Name: (5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one
• InChIKey: NZGWDASTMWDZIW-MRVPVSSYSA-N
• INCHI: 1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1
• Isomere SMILES: C[C@@H]1CCC(=C(C)C)C(=O)C1
• WGK Deutschland: 3
• RTECS: OT0261000
• PubChem CID: 442495
• Molekulargewicht: 152.24

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Menthane monoterpenoids
• Alternative Parents: Monocyclic monoterpenoids Cyclic ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: P-menthane monoterpenoid - Monocyclic monoterpenoid - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Beschreibung: 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

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Aspergillus flavus (8875 Activities)

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Zea mays (820 Activities)

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Meloidogyne incognita (862 Activities)

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Musca domestica (713 Activities)

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Columba livia (47 Activities)

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Rattus norvegicus (775804 Activities)

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Rdl GABA receptor subunit (76 Activities)

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Meloidogyne javanica (98 Activities)

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Frankliniella occidentalis (90 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water; Degree of Solubility in water: 276 mg/l 25 °C; Miscible with Chloroform,Alcohol,Ether
• Brechungsindex: 1.49
• Spezifische Drehung [α]: 23° (neat)
• Flammpunkt (°F): 179.6 °F
• Flammpunkt (°C): 82°C
• Siedepunkt (°C): 224 °C
• Molekulargewicht: 152.230 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 152.12 Da
• Monoisotopic Mass: 152.12 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 197.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Referenzen

1. Huimin Liao, Jinghong Wang, Feiran Chen, Le Ya, Ningke Fan, Yinghua Shu, Zhenggao Xiao, Zhenyu Wang.  (2024)  Salicylic acid functionalized chitosan nanocomposite increases bioactive components and insect resistance of Agastache rugosa.  PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY,      [PMID:39477584] [10.1016/j.pestbp.2024.106131]

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥85% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. 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 89-82-7, the molecular formula is C10H16O, and the molecular weight is 152.24 g/mol. InChIKey NZGWDASTMWDZIW-MRVPVSSYSA-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.