(−)-α-Thujone

CAS 546-80-5C10H16OChemical Synthesis

(−)-α-Thujone (CAS: 546-80-5, C10H16O) is a naturally occurring bicyclic monoterpene ketone known for its presence in plants like Artemisia vulgaris. With a molecular weight of 152.23 g/mol, it functions as a GABA and glycine receptor modulator. This compound is valuable in chemical synthesis, particularly in asymmetric synthesis, and is utilized in research related to cell biology and neuroscience. TSS supplies this chemical for laboratory and research applications.

IUPAC: (-)-alpha-Thujone,(1S,4R)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one
Synonyms: (-)-alpha-Thujone(1S,4R)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one

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(−)-α-Thujone (C10H16O) — chemical structure, CAS 546-80-5; Chemistry, fine chemical supplied by Tech Serve Solutions

AntagonistsArtemisia vulgarisAsymmetric SynthesisBioactive Small MoleculesCell BiologyChemical SynthesisChiral Building BlocksGABAergicsIon ChannelsKetones

01 /Applications

Research in Neuroscience

(−)-α-Thujone is used as a tool compound for investigating the roles of GABA and glycine receptors in neuronal signaling and brain function. Its modulatory effects on these ligand-gated ion channels make it relevant for studies in cell signaling and neuroscience.

Chemical Synthesis

As a chiral building block, (±)-α-Thujone can be employed in the synthesis of more complex organic molecules. Its bicyclic structure offers unique stereochemical possibilities for asymmetric synthesis strategies.

Natural Product Analysis

This compound serves as a reference standard for the analysis and characterization of essential oils and extracts from plants such as Artemisia species. Its presence and concentration can be important in the quality control of botanical products.

02 /Properties

Molecular weight	152.23
Empirical formula	C10H16O
Assay	≥96.0% (GC)
Density	0.914 g/mL at 20 °C(lit.)
Refractive index	n20/D 1.450
Optical activity	[α]20/D −19.0±2.0°, neat
Storage temperature	2-8°C

03 /Safety & handling

GHS hazard pictogram: Harmful / irritant (GHS07) — Harmful / irritant

Warning

Hazard statements

H302Harmful if swallowed

Protective equipment	Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Flash point	64 °C / 147.2 °F
Transport (UN / ADR)	NA 1993 / PGIII
Water hazard class (WGK, DE)	3
Hazard codes (EU)	Xn
Risk statements (R)	22

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry

CAS number

546-80-5

MDL number

MFCD00001313

Beilstein registry

4660369

05 /Quality & supply

Documentation

Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.

Supply & logistics

Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.

06 /Frequently asked questions

What is (−)-α-Thujone used for?

(-)-α-Thujone is primarily used in scientific research, particularly in neuroscience for studying GABA and glycine receptors, and in chemical synthesis as a chiral building block for asymmetric synthesis. It is also used in natural product analysis.

What are the CAS number and formula for (−)-α-Thujone?

The CAS number for (−)-α-Thujone is 546-80-5 and its molecular formula is C10H16O.

What grade and purity does Tech Serve Solutions supply?

Tech Serve Solutions supplies (−)-α-Thujone with an assay of ≥96.0% (GC). TSS does not represent this product as USP, BP, EP, or any other pharmacopoeia grade.

How should (−)-α-Thujone be handled safely?

(-)-α-Thujone is classified as harmful if swallowed (H302) and requires careful handling. Recommended personal protective equipment includes eyeshields, face shields, gloves, and appropriate respiratory protection such as a full-face respirator or an ABEK type filter.

How is (−)-α-Thujone packed and shipped?

(-)-α-Thujone is stored at 2-8°C. It is shipped according to relevant transport regulations, for example, UN 1993, Packing Group III, with a flash point of 64°C (147.2°F).

How can I request a sample or quote for (−)-α-Thujone?

To request a sample or a quote for (−)-α-Thujone, please contact the TSS sales department through our website or by phone. Please provide your required quantity and shipping details.