2,2,6-Trimethyl-6-vinyltetrahydropyran-3-ol (mixture of isomers) - ≥98%(GC) , CAS No.14049-11-7

CAS: 14049-11-7 Cat. No.: T162414 Molecular Weight: 170.25 Beilstein Registry Number: 17(5)3,253 EC Number: 237-889-1 PubChem CID: 26396

GRADE & PURITY ≥98%(GC)

Synonyms

6-Ethenyl-tetrahydro-2,2,6-trimethyl-2H-Pyran-3-ol | 6-Ethenyltetrahydro-2,2,6-trimethyl-2H-Pyran-3-ol | Linalool oxide pyranoside | 2,2,6-Trimethyl-6-vinyltetrahydro-2H-pyran-3-ol, AldrichCPR | 2,2,6-Trimethyl-6-vinyltetrahydropyran-3-ol | Epoxylinalol |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

6-Ethenyl-tetrahydro-2, 2, 6-trimethyl-2H-Pyran-3-ol | 6-Ethenyltetrahydro-2, 2, 6-trimethyl-2H-Pyran-3-ol | Linalool oxide pyranoside | 2, 2, 6-Trimethyl-6-vinyltetrahydro-2H-pyran-3-ol, AldrichCPR | 2, 2, 6-Trimethyl-6-vinyltetrahydropyran-3-ol | Epoxylinalol |

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488183014
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183014
• Canonical Smiles: CC1(C(CCC(O1)(C)C=C)O)C
• IUPAC Name: 6-ethenyl-2,2,6-trimethyloxan-3-ol
• InChIKey: BCTBAGTXFYWYMW-UHFFFAOYSA-N
• INCHI: 1S/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3
• Isomeric SMILES: CC1(C(CCC(O1)(C)C=C)O)C
• PubChem CID: 26396
• Molecular Weight: 170.25
• Beilstein: 17(5)3,253
• Reaxy-Rn: 1281943

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxanes
• Alternative Parents: Secondary alcohols Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxane - Secondary alcohol - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic heteromonocyclic compound
• Description: 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: 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

Chemical and Physical Properties

• Flash Point(°F): 100°C
• Flash Point(°C): 100°C
• Boil Point(°C): 98°C/10mmHg
• Molecular Weight: 170.250 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 170.131 Da
• Monoisotopic Mass: 170.131 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 186.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1