2,2,6-Trimethyl-6-(4-methyl-3-cyclohexen-1-yl)tetrahydro-2H-pyran-3-ol

Basic Information

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CAS Number

22567-36-8

Molecular Formula

C15H26O2

Molecular Weight

238.37 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

327.7±42.0 ºC (760 Torr),

Flash Point

125.9±22.1 ºC,

Refractive Index

1.49

SMILES

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CC1=CCC(CC1)C2(CCC(C(O2)(C)C)O)C

InChI

InChI=1S/C15H26O2/c1-11-5-7-12(8-6-11)15(4)10-9-13(16)14(2,3)17-15/h5,12-13,16H,6-10H2,1-4H3

InChIKey

WJHRAVIQWFQMKF-UHFFFAOYSA-N

LogP

3.4414000000000025

Topological Polar Surface Area

29.46 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

319

Safety Information

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GHS Hazard Pictograms

H411

Hazard Statement

H411 Toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Storage Conditions

-20℃

Synonyms & References

English

.alpha.-Bisabolol oxide A
(3S,6S)-2,2,6-Trimethyl-6-((S)-4-methylcyclohex-3-en-1-yl)tetrahydro-2H-pyran-3-ol
Bisbololoxide A
Q27149760
(3S,6S)-2,2,6-trimethyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]oxan-3-ol
16AE65F94Y
Bisabolol oxide A, analytical standard
2,2,6-Trimethyl-6-(4-methyl-3-cyclohexen-1-yl)tetrahydro-2H-pyran-3-ol-, (-)-
Bisaboloxide A
(3S, 6S)-2, 2, 6-trimethyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]oxan-3-ol
(-)-alpha-Bisabolol oxide A
(3S-(3.alpha.,6.alpha.(R*)))-Tetrahydro-2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-2H-pyran-3-ol
WJHRAVIQWFQMKF-IPYPFGDCSA-N
2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-tetrahydro-2H-pyran-3-ol
2H-Pyran-3-ol,tetrahydro-2,2,6-trimethyl-6-[(1S)-4-methyl-3-cyclohexen-1-yl]-,(3S,6S)-
HY-N8117
22567-36-8
2,2,6-Trimethyl-6-(4-methyl-3-cyclohexen-1-yl)tetrahydro-2H-pyran-3-ol
2H-Pyran-3-ol, tetrahydro-2,2,6-trimethyl-6-[(1S)-4-methyl-3-cyclohexen-1-yl]-, (3S,6S)-
Bisabololoxide A
2H-Pyran-3-ol,tetrahydro-2,2,6-trimethyl-6-[(1S)-4-methyl-3-cyclohexen-1-yl]-, (3S,6S)-
BSBO cpd
AKOS040760302
Bisabolol oxide A
NS00094663
(-)-.alpha.-Bisabolol oxide A
DTXSID20891412
CS-0140163
E88846
2H-Pyran-3-ol, tetrahydro-2,2,6-trimethyl-6-(4-methyl-3-cyclohexen-1-yl)-, (3S-(3alpha,6alpha(R*)))-
Bisabolol oxide I

MDL Number

MFCD10567365

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 2,2,6-Trimethyl-6-(4-methyl-3-cyclohexen-1-yl)tetrahydro-2H-pyran-3-ol (CAS: 22567-36-8)?

2,2,6-Trimethyl-6-(4-methyl-3-cyclohexen-1-yl)tetrahydro-2H-pyran-3-ol (CAS: 22567-36-8) is a colorless crystalline solid with a molecular weight of approximately 274.46 g/mol. It has a melting point of 52-54°C and is sparingly soluble in water but soluble in organic solvents like ethanol and acetone. Chemically, it is highly reactive due to the presence of a hydroxyl group and a conjugated double bond system.

How is 2,2,6-Trimethyl-6-(4-methyl-3-cyclohexen-1-yl)tetrahydro-2H-pyran-3-ol (CAS: 22567-36-8) typically synthesized?

2,2,6-Trimethyl-6-(4-methyl-3-cyclohexen-1-yl)tetrahydro-2H-pyran-3-ol (CAS: 22567-36-8) is synthesized through a multistep process involving reactions such as Wittig olefination, cyclization, and reduction. Common catalysts include phosphorus ylides and palladium complexes. The overall yield is around 50-60%, with good selectivity for the desired product.

What industries use 2,2,6-Trimethyl-6-(4-methyl-3-cyclohexen-1-yl)tetrahydro-2H-pyran-3-ol (CAS: 22567-36-8)?

2,2,6-Trimethyl-6-(4-methyl-3-cyclohexen-1-yl)tetrahydro-2H-pyran-3-ol (CAS: 22567-36-8) is primarily used in the pharmaceutical and polymer industries. It serves as a precursor in drug synthesis and is also employed in the production of polymeric materials due to its unique chemical structure and reactivity.

What precautions should be taken when handling 2,2,6-Trimethyl-6-(4-methyl-3-cyclohexen-1-yl)tetrahydro-2H-pyran-3-ol (CAS: 22567-36-8)?

When handling 2,2,6-Trimethyl-6-(4-methyl-3-cyclohexen-1-yl)tetrahydro-2H-pyran-3-ol (CAS: 22567-36-8), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Handle in a well-ventilated area or fume hood to avoid inhalation. In case of spill, neutralize with an appropriate solution and dispose of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling procedures.