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Methyl dihydrojasmonate (Hedione)

Methyl dihydrojasmonate, sold as Hedione, smells fresh, citric and slightly floral, and is treated as a middle note.

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

Turn it in 3D

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 M, Kiler P, Heretsch P · 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 (methyl 2-(3-oxo-2-pentylcyclopentyl)acet · 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 (methyl 2-(3-oxo-2-pentylcyclopentyl)acet · read 2026-09-30

confidence A

Formula
C13H22O3
documented

PUBCHEM-102861 · PubChem Compound Summary for CID 102861, Hedione (methyl 2-(3-oxo-2-pentylcyclopentyl)acet · read 2026-09-30

confidence A

Molecular weight
226.31
documented

PUBCHEM-102861 · PubChem Compound Summary for CID 102861, Hedione (methyl 2-(3-oxo-2-pentylcyclopentyl)acet · 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 (methyl 2-(3-oxo-2-pentylcyclopentyl)acet · read 2026-09-30

confidence A

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

PUBCHEM-102861 · PubChem Compound Summary for CID 102861, Hedione (methyl 2-(3-oxo-2-pentylcyclopentyl)acet · read 2026-09-30

confidence A

InChIKey
KVWWIYGFBYDJQC-UHFFFAOYSA-N
documented

PUBCHEM-102861 · PubChem Compound Summary for CID 102861, Hedione (methyl 2-(3-oxo-2-pentylcyclopentyl)acet · read 2026-09-30

confidence A

Odour threshold
withheld: not on record
withheld

no odour-threshold source in the repository

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 M, Kiler P, Heretsch P · read 2026-09-30

confidence A

Volatility class
not on record
not on record

no volatility class on record for methyl dihydrojasmonate (the simulator’s data 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 (methyl 2-(3-oxo-2-pentylcyclopentyl)acet · read 2026-09-30

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

confidence A

Occurs in
    In teaching accords

    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 · PubChem data are provided by NCBI (public-domain data; cite PubChem); the computed conformer is PubChem-generated. The raw responses are filed as fetched (the house’s records; the house’s review log the house’s records).
    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

    These records are published under CC BY 4.0.

    this record as data: /data/molecule/methyl-dihydrojasmonate.json · version 1 · updated 2026-09-30 · confidence A