(±)-Geosmin solution - 2mg/L in methanol , CAS No.16423-19-1

CAS: 16423-19-1 Cat. No.: G466397 Formula: C₁₂H₂₂O Molecular Weight: 182.30 EC Number: 622-365-0

GRADE & PURITY 2mg/L in methanol

Synonyms

(+)-geosmin | AKOS030254240 | NCGC00165927-01 | Q27120688 | LMPR0103090008 | rel-(4R,4aR,8aS)-4,8a-Dimethyloctahydronaphthalen-4a(2H)-ol | 2beta,6alpha-Dimethylbicyclo[4.4.0]decan-1beta-ol | CHEBI:46705 | J-010123 | (4R,4aR,8aS)-4,8a-dimethyloctahydronaph

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Description

(±)-Geosmin solution is commonly used in the odorant removal/degradation studies in the water and food chemistry.

Specifications

Synonyms

(+)-geosmin | AKOS030254240 | NCGC00165927-01 | Q27120688 | LMPR0103090008 | rel-(4R,4aR,8aS)-4,8a-Dimethyloctahydronaphthalen-4a(2H)-ol | 2beta,6alpha-Dimethylbicyclo[4.4.0]decan-1beta-ol | CHEBI:46705 | J-010123 | (4R,4aR,8aS)-4,8a-dimethyloctahydronaph

Specifications & Purity

2mg/L in methanol

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Note

The (−)-enantiomer is the principal component of beet aroma.

Names and Identifiers

• Pubchem Sid: 528753458
• Canonical Smiles: CC1CCCC2(C1(CCCC2)O)C
• IUPAC Name: (4R,4aR,8aS)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
• InChIKey: JLPUXFOGCDVKGO-GRYCIOLGSA-N
• INCHI: 1S/C12H22O/c1-10-6-5-8-11(2)7-3-4-9-12(10,11)13/h10,13H,3-9H2,1-2H3/t10-,11+,12-/m1/s1
• Isomeric SMILES: C[C@@H]1CCC[C@]2([C@]1(CCCC2)O)C
• WGK Germany: 2
• Alternate CAS: 104873-46-3
• Molecular Weight: 182.30
• Reaxy-Rn: 2039179
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2039179&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Tertiary alcohols
• Alternative Parents: Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Tertiary alcohol - Cyclic alcohol - Hydrocarbon derivative - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).
• External Descriptors: Germacrane sesquiterpenoids

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

Associated Targets(Human)

POLK Tbio DNA polymerase kappa (8653 Activities)

Discover Target: POLK

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

Mechanisms of Action

Chemical and Physical Properties

• Flash Point(°F): 51.8 °F
• Flash Point(°C): 11 °C
• Boil Point(°C): 270° C
• Molecular Weight: 182.300 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 182.167 Da
• Monoisotopic Mass: 182.167 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 201.000
• 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

References

1. Jialing Lu, Jia Zheng, Dong Zhao, Yan Xu, Shuang Chen.  (2025)  The Effect of Ethanol on the Compound Thresholds and Aroma Perception in Chinese Baijiu.  MOLECULES,  30  (4): (933).  [PMID:40005243] [10.3390/molecules30040933]