CAS 546-80-5: Thujone

Description: Thujone is a monoterpene compound primarily found in various plants, notably in wormwood (Artemisia absinthium), which is famous for its use in absinthe. It has the chemical formula C10H14O and is characterized by its cyclic structure, featuring a bicyclic arrangement. Thujone exists in two stereoisomeric forms: α-thujone and β-thujone, each exhibiting distinct biological activities. The compound is known for its strong, minty aroma and is often associated with psychoactive properties, although its effects can vary significantly based on concentration and dosage. Thujone has been studied for its potential neurotoxic effects, and its consumption is regulated in many countries due to safety concerns. In addition to its historical use in alcoholic beverages, thujone is also utilized in perfumery and as a flavoring agent. Its solubility in organic solvents and limited solubility in water are notable physical properties, making it a compound of interest in both natural product chemistry and pharmacology.

Formula: C₁₀H₁₆O

InChI: InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1

InChI key: InChIKey=USMNOWBWPHYOEA-MRTMQBJTSA-N

SMILES: O=C1CC2(CC2C1C)C(C)C

Synonyms:

• ()-alpha-Thujone
• (-)-Thujone
• (-)-α-Thujone
• (1S,4R,5R)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one
• (1S,4R,5R)-4-Methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one
• 1-Isopropil-4-Metilbiciclo[3.1.0]Hexan-3-Ona
• 1-Isopropyl-4-Methylbicyclo(3.1.0)Hexan-3-One
• 1-Isopropyl-4-Methylbicyclo[3.1.0]Hexane-3-One
• 1-Isopropyl-4-Methylbicylco [3.1.0] Hexan-3-One
• 1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-on
• 3-Thujanone, (1S,4R,5R)-(-)-
• Absinthol
• BICYCLO[3.1.0]HEXAN-3-ONE, 4-METHYL-1-(1- METHYLETHYL)-, [1S-(1α,4α,5α)]-
• Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1S,4R,5R)-
• Nsc 93742
• Thujon

α-(-)-Thujone

CAS: 546-80-5

alpha-(-)-Thujone analytical standard provided with chromatographic purity, to be used as reference material for qualitative …

• Formula: C₁₀H₁₆O
• Purity: (GC) ≥96%
• Color and Shape: Liquid
• Molecular weight: 152.24

Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1S,4R,5R)-

CAS: 546-80-5

• Formula: C₁₀H₁₆O
• Purity: 96%
• Color and Shape: Liquid
• Molecular weight: 152.2334

(-)-α-Thujone

CAS: 546-80-5

• Formula: C₁₀H₁₆O
• Purity: (GC) ≥ 80.0%
• Color and Shape: Clear, colourless to pale yellow liquid
• Molecular weight: 152.23

(1S,4R,5R)-1-Isopropyl-4-methyl-bicyclo[3.1.0]hexan-3-one

CAS: 546-80-5

• Purity: 95%
• Molecular weight: 152.23g/mol

α-Thujone

CAS: 546-80-5

• Purity: ≥98%
• Molecular weight: 152.23g/mol

TerpiMix 1 2500 µg/mL in Isopropanol

CAS: 112-14-1 1196-01-6 123-35-3 127-91-3 13877-91-3 2217-02-9 3387-41-5 464-43-7 4695-62-9 470-82-6 498-15-7 527-84-4 546-79-2 546-80-5586-62-9 78-70-6 79-92-5 80-56-8 98-55-5 99-85-4 99-86-5 99-87-6

• Color and Shape: Mixture

α-Thujone

CAS: 546-80-5

• Formula: C₁₀H₁₆O
• Purity: 95%~99%
• Molecular weight: 152.237

Smart Solutions™ TerpiMix Kit 2500 μg/mL in Isopropanol

CAS: 10458-14-7 105-87-3 106-22-9 106-24-1 106-25-2 111-02-4 112-14-1 1139-30-6 116-26-7 1196-01-6 123-35-3 124-76-5 125-12-2 127-91-3 13466-78-9 138-86-3 13877-91-3 2217-02-9 2244-16-8 22567-21-1 3387-41-5 4602-84-0 4630-07-3 464-43-7 464-45-9 4674-50-4 469-61-4 4695-62-9 470-82-6 489-86-1 498-15-7 499-75-2 502-61-4 515-69-5 527-84-4 535-77-3 5392-40-5 546-79-2 546-80-5562-74-3 586-62-9 638-36-8 675-20-7 6753-98-6 7212-44-4 7541-49-3 76-22-2 77-53-2 7787-20-4 78-70-6 79-92-5 80-56-8 87-44-5 89-78-1 89-79-2 89-81-6 89-82-7 89-83-8 98-55-5 99-83-2 99-85-4 99-86-5 99-87-6

• Color and Shape: Kit

α-Thujone

CAS: 546-80-5

α-Thujone is an inhibitor of ACh with an IC50 value of 24.7μM.

• Formula: C₁₀H₁₆O
• Purity: 98.16% - 98.41%
• Color and Shape: Less Or Almost Colorless Liquid With A Menthol- Like Odor (Albert-Puleo 1978; Budavari 1996) Colorless Or Almost Colorless Liquid With A Menthol- Like Odor (Albert-Puleo 1978; Budavari 1996)
• Molecular weight: 152.23

(-)-α-thujone

CAS: 546-80-5

Alicyclic ketone

• Formula: C₁₀H₁₆O
• Purity: ≥ 90.0 % (GC)
• Color and Shape: Liquid
• Molecular weight: 152.24

alpha-Thujone

CAS: 546-80-5

Applications α-Thujone is a GABA modulator and a genotoxic compound found in plants used in …

• Formula: C₁₀H₁₆O
• Color and Shape: Neat
• Molecular weight: 152.23

±-Thujone

CAS: 546-80-5

Thujone is a naturally occurring organic compound that is found in small quantities in various …

• Formula: C₁₀H₁₆O
• Purity: Min. 95%
• Molecular weight: 152.23 g/mol