cis-(−)-Limonene oxide - ≥90% , CAS No.32543-51-4

CAS: 32543-51-4 Cat. No.: C487025 Formule: C₁₀H₁₆O Poids moléculaire: 152.23

GRADE & PURITY ≥90%

Synonyms

-(-) limonene oxide | Q27253522 | 7-Oxabicyclo(4.1.0)heptane, 1-methyl-4-(1-methylethenyl)-, (1S,4S,6R)- | cis-(-)-1,2-Epoxy-p-menth-8-ene | SCHEMBL230827 | UNII-215X25J847 | Limonene oxide, cis-(-)- | cis-(-)-limonene oxide | (-)-(1S,4S)-limonene-1,2- ep

Storage

Room temperature

Vue d’ensemble

Description

cis-(−)-Limonene oxide is a valuable chiral terpene oxide building block.

Specifications

Synonymes

-(-) limonene oxide | Q27253522 | 7-Oxabicyclo(4.1.0)heptane, 1-methyl-4-(1-methylethenyl)-, (1S,4S,6R)- | cis-(-)-1,2-Epoxy-p-menth-8-ene | SCHEMBL230827 | UNII-215X25J847 | Limonene oxide, cis-(-)- | cis-(-)-limonene oxide | (-)-(1S,4S)-limonene-1,2- ep

Spécifications et pureté

≥90%

Conditions de stockage de stockage

Room temperature

Pureté

≥90%

Noms et identifiants

Pubchem Sid

488195812

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195812

Sourires canoniques

CC(=C)C1CCC2(C(C1)O2)C

IUPAC Name

(1S,4S,6R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane

InChIKey

CCEFMUBVSUDRLG-AEJSXWLSSA-N

INCHI

1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9+,10-/m0/s1

Isomères SMILES

CC(=C)[C@H]1CC[C@]2([C@@H](C1)O2)C

Poids moléculaire

152.23

Reaxy-Rn

111814

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=111814&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Oxepanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Oxepanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxepanes
• Alternative Parents: Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Oxepane - Oxacycle - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as oxepanes. These are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.
• 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

Propriétés chimiques et physiques

• Point d'éclair (°F): 163.4 °F
• Point d'éclair (°C): 73 °C
• Point d'ébullition (°C): 50 - 53 °C
• Poids moléculaire: 152.230 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 152.12 Da
• Monoisotopic Mass: 152.12 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 197.000
• 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