Sedanolide

Sedanolide

Names
IUPAC name 3-Butyl-3a,4,5,6-tetrahydro-2-benzofuran-1(3H)-one
Other names Sedanolide 3-Butyl-3a,4,5,6-tetrahydrophthalide
Identifiers
CAS Number	6415-59-4 Y
3D model (JSmol)	Interactive image
ChemSpider	4197506
PubChem CID	5018391
UNII	9GXU758IFX Y
CompTox Dashboard (EPA)	DTXSID001027843
InChI InChI=1S/C12H18O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h7,9,11H,2-6,8H2,1H3 Key: UPJFTVFLSIQQAV-UHFFFAOYSA-N
SMILES CCCCC1C2CCCC=C2C(=O)O1
Properties
Chemical formula	C12H18O2
Molar mass	194.274 g·mol−1
Related compounds
Related compounds	Phthalide
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Sedanolide is a tetrahydrophthalide compound with the molecular formula C₁₂H₁₈O₂. It is reported that sedanolide is one of the flavor constituents of celery oil from fresh celery.

Isomers

There are 4 stereo isomers.

• (3R,3aR)-sedanolide
• (3R,3aS)-sedanolide
• (3S,3aR)-sedanolide - Also called neocnidilide or trans-sedanolide.
• (3S,3aS)-sedanolide

Similar compounds

• 
  3-Butylphthalide
• 
  Sedanenolide (sometimes called senkyunolide)

• cnidilide
• 3-butylhexahydrophthalide

External links

• The Sedanolides, John C. Leffingwell, Ph.D., Chirality & Odour Perception