Terpin Monohydrate - 10mM in DMSO , CAS No.2451-01-6

CAS: 2451-01-6 Cat. No.: T422833 Molecular Weight: 192.29 Beilstein Registry Number: 6(4)5255 EC Number: 607-392-8 PubChem CID: 17141

GRADE & PURITY 10mM in DMSO

Synonyms

SCHEMBL29867 | 4-(2-Hydroxypropan-2-yl)-1-methyl-Cyclohexan-1-Ol | CYCLOHEXANEMETHANOL, 4-HYDROXY-.ALPHA.,.ALPHA.,4-TRIMETHYL-, HYDRATE (1:1), CIS- | TERPIN HYDRATE [WHO-DD] | Terpin monohydrate;cis-Terpin hydrate | SR-01000944230-1 | EN300-8109909 | 4-(2

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Used in screening of essential oil from Artemisia scoparia leaves for free radical scavenging activity.

Specifications

Synonyms

SCHEMBL29867 | 4-(2-Hydroxypropan-2-yl)-1-methyl-Cyclohexan-1-Ol | CYCLOHEXANEMETHANOL, 4-HYDROXY-.ALPHA., .ALPHA., 4-TRIMETHYL-, HYDRATE (1:1), CIS- | TERPIN HYDRATE [WHO-DD] | Terpin monohydrate;cis-Terpin hydrate | SR-01000944230-1 | EN300-8109909 | 4-(2

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CC1(CCC(CC1)C(C)(C)O)O.O
• IUPAC Name: 4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol;hydrate
• InChIKey: JGKJMBOJWVAMIJ-UHFFFAOYSA-N
• INCHI: 1S/C10H20O2.H2O/c1-9(2,11)8-4-6-10(3,12)7-5-8;/h8,11-12H,4-7H2,1-3H3;1H2
• Isomeric SMILES: CC1(CCC(CC1)C(C)(C)O)O.O
• PubChem CID: 17141
• Molecular Weight: 192.29
• Beilstein: 6(4)5255
• Reaxy-Rn: 3684464

Taxonomic Classification

Taxonomy Tree

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

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

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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 119 °C
• Molecular Weight: 190.280 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 190.157 Da
• Monoisotopic Mass: 190.157 Da
• Topological Polar Surface Area: 41.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 155.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 2

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