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

CAS: 16423-19-1 Cat. No.: G466397 분자식: C₁₂H₂₂O 분자량: 182.30 EC 번호: 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

개요

Description

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

Specifications

동의어

(+)-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

사양 및 순도

2mg/L in methanol

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

참고

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

이름과 식별자

• Pubchem Sid: 528753458
• 정식 스마일: 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
• 이성체 SMILES: C[C@@H]1CCC[C@]2([C@]1(CCCC2)O)C
• WGK 독일: 2
• 대체 CAS: 104873-46-3
• 분자량: 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
    • 분류 Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

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

작용 메커니즘

화학 및 물리적 특성

• 발화점(°F): 51.8 °F
• 발화점(°C): 11 °C
• 끓는점(°C): 270° C
• 분자량: 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

참고 문헌

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]