4-Carvomenthenol - ≥95% , CAS No.562-74-3

CAS: 562-74-3 Cat. No.: C164458 Summenformel: C₁₀H₁₈O Molekulargewicht: 154.25 EG-Nummer: 209-235-5

GRADE & PURITY ≥95%

Synonyms

METHYL-1-(1-METHYLETHYL)-3-CYCLOHEXEN-1-OL | para-Menth-1-en-4-ol | 4-Carvomenthenol (natural) | 4-TERPINEOL, (+/-)- | alpha -Terpinen-4-ol | TERPINENE-4-OL | 1-(ISOPROPYL)-4-METHYLCYCLOHEX-3-EN-1-OL | SY012857 | NSC147749 | NSC-147749 | Terpinine-4-ol |

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

METHYL-1-(1-METHYLETHYL)-3-CYCLOHEXEN-1-OL | para-Menth-1-en-4-ol | 4-Carvomenthenol (natural) | 4-TERPINEOL, (+/-)- | alpha -Terpinen-4-ol | TERPINENE-4-OL | 1-(ISOPROPYL)-4-METHYLCYCLOHEX-3-EN-1-OL | SY012857 | NSC147749 | NSC-147749 | Terpinine-4-ol |

Spezifikationen & Reinheit

≥95%

Biochemische und physiologische Mechanismen

Anti-inflammatory and antimicrobial agent. Putative anticancer agent. Suppresses LPS-induced TNFα, IL-1β, IL-8, IL-10 and PGE2 production in monocytes. Induces apoptosis. Shows antifungal, antibacterial and anti-inflammatory effect in vivo.

Storage

Room temperature,Argon charged

Verschickt in

Normal

Hinweis

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

504752088

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752088

Kanonisches Lächeln

CC1=CCC(CC1)(C(C)C)O

IUPAC Name

4-methyl-1-propan-2-ylcyclohex-3-en-1-ol

InChIKey

WRYLYDPHFGVWKC-UHFFFAOYSA-N

INCHI

1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3

Isomere SMILES

CC1=CCC(CC1)(C(C)C)O

RTECS

OT0175110

Molekulargewicht

154.25

Reaxy-Rn

1906603

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1906603&ln=

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 Tertiary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: P-menthane monoterpenoid - Monocyclic monoterpenoid - Tertiary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - 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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UGT1A4 Tbio UDP-glucuronosyltransferase 1A4 (288 Activities)

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HL-60 (67320 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Staphylococcus aureus (210822 Activities)

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Klebsiella aerogenes (4963 Activities)

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Escherichia coli (133304 Activities)

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Streptococcus mutans (2687 Activities)

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Histoplasma capsulatum (403 Activities)

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Aspergillus flavus (8875 Activities)

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Bacillus subtilis (32866 Activities)

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Cyberlindnera jadinii (900 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Corynebacterium ammoniagenes (75 Activities)

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Cutibacterium acnes (887 Activities)

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Penicillium chrysogenum (1593 Activities)

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Meloidogyne incognita (862 Activities)

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Leptinotarsa decemlineata (1161 Activities)

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Malassezia furfur (70 Activities)

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Psoroptes ovis (78 Activities)

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Duodenum (1 Activities)

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Corticium (78 Activities)

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Pythium (470 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.478
• Flammpunkt (°C): 79°C
• Siedepunkt (°C): 88-90 °C
• Molekulargewicht: 154.250 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 154.136 Da
• Monoisotopic Mass: 154.136 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 170.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1