Methyl dihydrojasmonate (Hedione)

It is the jasmine-related material of the teaching white-floral accord. Its identity is PubChem’s.

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molecule

The methyl dihydrojasmonate (Hedione) molecule

A computed 3D conformer , modeled, not a photograph of a molecule. PubChem CID 102861.

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PubChem’s computed 3D conformer of methyl dihydrojasmonate (Hedione) (CID 102861, conformer 000191CD00000001): the shape a computer model gives the molecule, not an experimental structure and not a picture of a real molecule. Ball and stick: 13 carbon, 3 oxygen; the 22 hydrogen atoms are left out for clarity. The balls are drawn smaller than the atoms’ real reach; a double bond is two sticks, side by side.

In the room

scaled so that one ångström is 4 cm (about 400 million times life size): 27.5 cm tall, 37.1 cm across

Atoms

13 carbon, 3 oxygen · 16 bonds between them

Colours

carbon: ink sepia-2; oxygen: rose highlight; bonds: brass. Colour is a convention here and never carries the meaning alone: the letters on the drawing and this list say which atom is which.

Source

PubChem, CID 102861 (National Center for Biotechnology Information), its computed 3D conformer as filed on this record

Licence

PubChem’s data are public (NCBI); the model and its drawing were made for this site from those coordinates

The files GLB 23 KB · USDZ 52 KB · the drawing (SVG) 6 KB

The record

Each field carries its evidence: open a chip for the source, the quoted words and the confidence. A field with nothing behind it says so and stays empty.

Name

methyl dihydrojasmonate (Hedione)

documented

hedione (methyl dihydrojasmonate), … has a fresh, citric and slightly floral scent – but is commonly categorized as a middle note

KLE-1 · Kleoff et al. (2022). Synthesis of odorants in flow and their applications in perfumery · read 2026-09-30

PubChem’s title for CID 102861 is "Hedione", a trade name

confidence A

CAS

24851-98-7

documented

24851-98-7

PUBCHEM-102861 · PubChem Compound Summary for CID 102861, Hedione · read 2026-09-30

among the CID’s PubChem synonyms, and PubChem resolves it back to this CID

confidence A

PubChem CID

102861

documented

PUBCHEM-102861 · PubChem Compound Summary for CID 102861, Hedione · read 2026-09-30

confidence A

Formula

C13H22O3

documented

PUBCHEM-102861 · PubChem Compound Summary for CID 102861, Hedione · read 2026-09-30

confidence A

Molecular weight

226.31

documented

PUBCHEM-102861 · PubChem Compound Summary for CID 102861, Hedione · read 2026-09-30

g/mol, as PubChem states it

confidence A

IUPAC name

methyl 2-(3-oxo-2-pentylcyclopentyl)acetate

documented

PUBCHEM-102861 · PubChem Compound Summary for CID 102861, Hedione · read 2026-09-30

confidence A

SMILES

CCCCCC1C(CCC1=O)CC(=O)OC

documented

PUBCHEM-102861 · PubChem Compound Summary for CID 102861, Hedione · read 2026-09-30

confidence A

InChIKey

KVWWIYGFBYDJQC-UHFFFAOYSA-N

documented

PUBCHEM-102861 · PubChem Compound Summary for CID 102861, Hedione · read 2026-09-30

confidence A

Odour threshold

withheld: not on record

withheld

no odour-threshold source on record

Descriptors

fresh, citric, slightly floral

documented

hedione (methyl dihydrojasmonate), … has a fresh, citric and slightly floral scent – but is commonly categorized as a middle note

KLE-1 · Kleoff et al. (2022). Synthesis of odorants in flow and their applications in perfumery · read 2026-09-30

confidence A

Volatility class

not on record

not on record

no volatility class on record for methyl dihydrojasmonate (the house’s volatility table has no entry)

Regulation

not on record

not on record

no Regulation record names it

3D structure

PubChem computed 3D conformer · 38 atoms, 38 bonds

modeled

PUBCHEM-102861 · PubChem Compound Summary for CID 102861, Hedione · read 2026-09-30

PubChem’s computed 3D conformer (the 3D SDF record): a model, drawn schematically, not an experimental structure

confidence A

Wikidata

Q3144605

documented

P662 PubChem CID: 102861

WD-1 · Wikidata (Wikimedia Foundation) · read 2026-09-30

the item states PubChem CID 102861 (P662) and the record’s InChIKey (P235); found by the statement search haswbstatement:P662=102861

confidence A

Occurs in

In teaching accords

• A white floral, indolic

Sources

1. PUBCHEM-102861 · PubChem Compound Summary for CID 102861, Hedione (methyl 2-(3-oxo-2-pentylcyclopentyl)acetate). National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine; live database, read 2026-09-30 through the PUG REST endpoints (no account): https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/24851-98-7/cids/JSON · https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/102861/property/MolecularFormula,MolecularWeight,IUPACName,Title,SMILES,InChIKey/JSON · https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/102861/synonyms/JSON · https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/102861/SDF?record_type=3d. pubchem.ncbi.nlm.nih.gov/compound/102861 · read 2026-09-30 · public domain (US government work, NCBI/NLM); acknowledgement requested , cite PubChem
2. KLE-1 · Kleoff M, Kiler P, Heretsch P. Synthesis of odorants in flow and their applications in perfumery. Beilstein J Org Chem. 2022;18:754–768. doi.org/10.3762/bjoc.18.76 · read 2026-09-30 · CC BY 4.0
3. WD-1 · Wikidata (Wikimedia Foundation): the items named on each record (each statement read with its references), read 2026-09-30. www.wikidata.org · read 2026-09-30 · CC0 1.0

Our text and structure are CC BY 4.0; quoted source text stays under its owners’ terms.

this record as data: /data/molecule/methyl-dihydrojasmonate.json · version 3 · updated 2026-10-01 · confidence A