1,4-Cineole - ≥93%(GC) , CAS No.470-67-7

CAS: 470-67-7 Cat. No.: C405547 분자식: C₁₀H₁₈O 분자량: 154.25 EC 번호: 207-428-9

GRADE & PURITY ≥93%(GC)

Synonyms

1,4-Cineole, analytical standard | BRN 0104974 | CCG-266250 | CHEBI:80788 | SCHEMBL231925 | F82275 | MFCD00209502 | (+/-)-1,4-CINEOLE | 1-METHYL-4-(1-METHYLETHYL)-7-OXABICYCLO[2.2.1]HEPTANE | C16909 | 1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane |

Storage

Room temperature

Specifications

동의어

1,4-Cineole, analytical standard | BRN 0104974 | CCG-266250 | CHEBI:80788 | SCHEMBL231925 | F82275 | MFCD00209502 | (+/-)-1,4-CINEOLE | 1-METHYL-4-(1-METHYLETHYL)-7-OXABICYCLO[2.2.1]HEPTANE | C16909 | 1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane |

사양 및 순도

≥93%(GC)

보관 조건

Room temperature

작업 유형

ACTIVATOR

순수함

≥93%(GC)

이름과 식별자

Pubchem Sid

488181080

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181080

정식 스마일

CC(C)C12CCC(O1)(CC2)C

IUPAC Name

1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane

InChIKey

RFFOTVCVTJUTAD-UHFFFAOYSA-N

INCHI

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

이성체 SMILES

CC(C)C12CCC(O1)(CC2)C

WGK 독일

2

RTECS

OS9274000

UN 번호

1993

포장 그룹

III

분자량

154.25

Reaxy-Rn

104974

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=104974&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Bicyclic monoterpenoids
• Alternative Parents: Menthane monoterpenoids Tetrahydrofurans Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: P-menthane monoterpenoid - Bicyclic monoterpenoid - Tetrahydrofuran - Oxacycle - Organoheterocyclic compound - 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 bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
• External Descriptors: Cyclic monoterpenes

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(비인간)

Musca domestica (713 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Slightly soluble in water; Soluble in Benzene,Ether,Alcohol
• 굴절률: 1.445-1.456
• 발화점(°F): 116.6 °F
• 발화점(°C): 47 °C
• 끓는점(°C): 173 °C
• 녹는점(°C): -46 °C
• 분자량: 154.250 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• 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