(-)-alpha-thujone is the (1S,4R,5R)-stereoisomer of alpha-thujone.
Definition
(-)-alpha-thujone is the (1S,4R,5R)-stereoisomer of alpha-thujone. It is an enantiomer of a (+)-alpha-thujone.
Source: PubChem
US FDA substance register · UNII R0SQ9G0DU5 · registered name .ALPHA.-THUJONE · single chemical substance
Cosmetic roles
Gives the product a scentPERFUMING
Safety & regulatory references
- Restricted
- International fragrance standard (IFRA)
Source: IFRA fragrance standards
Korea’s toxic-substance GHS classification: Danger · H331 (category 3) · H301 (category 3)
More data — names, identifiers, properties, test records, literature
Names & identifiers
ISOPROPYL-METHYLBICYCLOHEXANONEINCIBicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, [1S-(1.alpha.,4.alpha.,5.alpha.)]-Synonym
- CAS No.chemical registry number
- 546-80-5
- EC No.EU chemical inventory number
- 208-912-2
- DTXSIDUS EPA chemical ID
- DTXSID3026148
- DTXCIDUS EPA compound ID
- DTXCID206148
- IUPAC
- (1S,4R,5R)-4-Methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one
- Molecular formula
- C10H16O
- Molecular weight
- 152.237 g/mol
Measured properties
- Appearance
- Solid
- Boiling point
- 200.00 to 201.00 °C. @ 760.00 mm Hg
- Melting point
- < 25 °C
Values measured on the substance itself, not a specification for a commercial raw material.
Source: PubChem
What products actually use it for
What the 3 products reported to the US EPA with this ingredient use it for. Products outside cosmetics are included, so the top few rows are its main uses.
- Fragrance3
Source: US EPA CompTox dashboard
Linked databases 14
- Australian Industrial Chemicals Inventory (AICIS)
- ChEBI
- ChEMBL
- EU CosIng ingredient list 2
- IFRA fragrance standards
- Korea toxic substances GHS register (NIER)
- NIST Chemistry WebBook
- PubChem 2
- UniChem cross-reference IDs
- US EPA CompTox dashboard 2
- US EPA DSSTox chemical database
- US FDA substance registration (GSRS)
- US FDA Unique Ingredient Identifier (UNII)
- Wikidata