Eucalyptol - Moligand™, Standard for GC, ≥99.5%(GC) , CAS No.470-82-6

CAS: 470-82-6 Cat. No.: E111234 분자식: C₁₀H₁₈O 분자량: 154.25 Beilstein Registry Number: 105109 EC 번호: 207-431-5

GRADE & PURITY Moligand™, Standard for GC, ≥99.5%(GC)

Synonyms

Cajeputol | 1,8-Epoxy-p-menthane | 1,8-Oxido-p-menthane | 1,8-Cineole | Eucapur | p-Cineole | 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane | cineole | 1,8-Cineol | Zineol | Terpan | Eucalyptole

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

동의어

Cajeputol | 1,8-Epoxy-p-menthane | 1,8-Oxido-p-menthane | 1,8-Cineole | Eucapur | p-Cineole | 1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane | cineole | 1,8-Cineol | Zineol | Terpan | Eucalyptole

사양 및 순도

Moligand™, Standard for GC, ≥99.5%(GC)

보관 조건

Room temperature

배송

FedEx DG Service

등급

Moligand™, Standard for GC

작업 유형

INHIBITOR

순수함

≥99.5%(GC)

이름과 식별자

Pubchem Sid

508813739

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508813739

정식 스마일

CC1(C2CCC(O1)(CC2)C)C

IUPAC Name

1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane

InChIKey

WEEGYLXZBRQIMU-UHFFFAOYSA-N

INCHI

1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3

이성체 SMILES

CC1(C2CCC(O1)(CC2)C)C

WGK 독일

2

UN 번호

1993

포장 그룹

I

분자량

154.25

Beilstein

105109

Reaxy-Rn

105109

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105109&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Oxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Oxanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxanes
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Oxane - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.
• External Descriptors: a monoterpenoid

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)

TRPM8 Tclin Transient receptor potential cation channel subfamily M member 8 (2 Activities)

Discover Target: TRPM8

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

화학 및 물리적 특성

• 굴절률: n20/D 1.457 (lit.)
• 발화점(°C): 48° C
• 끓는점(°C): 176-177 °C (lit.)
• 녹는점(°C): 1-2 °C (lit.)
• 분자량: 154.250 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 154.136 Da
• Monoisotopic Mass: 154.136 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 164.000
• 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: 1