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Iso E Super

Iso E Super is a synthetic woody-ambery material; a review describes it as woody, floral, ambergris, violet, old-wood and lemony.

The review dates it to 1972. The commercial material is a mixture of isomers; the identity here is PubChem’s record for the CAS the site uses. EU law now names it on labels (as tetramethyl acetyloctahydronaphthalenes).

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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
Iso E Super
documented

This process yielded Isocyclemone E® (33), later rebranded to the famous name Iso E Super® (33) that is valid until today

ISO-2 · Stepanyuk A, Kirschning A · read 2026-09-30

the trade name the review uses; PubChem’s title for CID 108242 is its systematic name; the commercial material is a mixture of isomers (ISO-2, data/1b/iso-e-super.json)

confidence A

CAS
54464-57-2
documented

54464-57-2

PUBCHEM-108242 · PubChem Compound Summary for CID 108242, 1-(1,2,3,4,5,6,7,8-Octahydro-2,3,8,8-tetramethyl- · read 2026-09-30

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

confidence A

PubChem CID
108242
documented

PUBCHEM-108242 · PubChem Compound Summary for CID 108242, 1-(1,2,3,4,5,6,7,8-Octahydro-2,3,8,8-tetramethyl- · read 2026-09-30

confidence A

Formula
C16H26O
documented

PUBCHEM-108242 · PubChem Compound Summary for CID 108242, 1-(1,2,3,4,5,6,7,8-Octahydro-2,3,8,8-tetramethyl- · read 2026-09-30

confidence A

Molecular weight
234.38
documented

PUBCHEM-108242 · PubChem Compound Summary for CID 108242, 1-(1,2,3,4,5,6,7,8-Octahydro-2,3,8,8-tetramethyl- · read 2026-09-30

g/mol, as PubChem states it

confidence A

IUPAC name
1-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanone
documented

PUBCHEM-108242 · PubChem Compound Summary for CID 108242, 1-(1,2,3,4,5,6,7,8-Octahydro-2,3,8,8-tetramethyl- · read 2026-09-30

confidence A

SMILES
CC1CC2=C(CC1(C)C(=O)C)C(CCC2)(C)C
documented

PUBCHEM-108242 · PubChem Compound Summary for CID 108242, 1-(1,2,3,4,5,6,7,8-Octahydro-2,3,8,8-tetramethyl- · read 2026-09-30

confidence A

InChIKey
FVUGZKDGWGKCFE-UHFFFAOYSA-N
documented

PUBCHEM-108242 · PubChem Compound Summary for CID 108242, 1-(1,2,3,4,5,6,7,8-Octahydro-2,3,8,8-tetramethyl- · read 2026-09-30

confidence A

Odour threshold
withheld: not on record
withheld

no odour-threshold source in the repository

Descriptors
woody, floral, ambergris, violet, old-wood, lemony
documented

Iso E Super® (33) | 59056-94-9 | woody, floral, ambergris, violet, old-wood, lemony (500 ng L−1)

ISO-2 · Stepanyuk A, Kirschning A · read 2026-09-30

the descriptors of Table 1 of the review for rac-33

confidence A

Volatility class
not on record
not on record

no volatility class on record for iso e super (the simulator’s data has no entry)

Regulation
documented

EU-2023-1545: each record above quotes its entry.

3D structure
PubChem computed 3D conformer · 43 atoms, 44 bonds
modeled

PUBCHEM-108242 · PubChem Compound Summary for CID 108242, 1-(1,2,3,4,5,6,7,8-Octahydro-2,3,8,8-tetramethyl- · 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
    In history

    Sources

    1. PUBCHEM-108242 · PubChem Compound Summary for CID 108242, 1-(1,2,3,4,5,6,7,8-Octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)ethanone (1-(2,3,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl)ethanone). 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/54464-57-2/cids/JSON · https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/108242/property/MolecularFormula,MolecularWeight,IUPACName,Title,SMILES,InChIKey/JSON · https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/108242/synonyms/JSON · https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/108242/SDF?record_type=3d. pubchem.ncbi.nlm.nih.gov/compound/108242 · 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. EU-2023-1545 · Commission Regulation (EU) 2023/1545 of 26 July 2023 (labelling of fragrance allergens). OJ L 188, 27.7.2023, p. 1. eur-lex.europa.eu/eli/reg/2023/1545/oj · read 2026-09-30 · EU legislation; reuse terms not re-read (UNVERIFIED); quoted
    3. ISO-2 · Stepanyuk A, Kirschning A. Synthetic terpenoids in the world of fragrances: Iso E Super® is the showcase. Beilstein J Org Chem. 2019;15:2590–2602. doi.org/10.3762/bjoc.15.252 · read 2026-09-30 · CC BY 4.0

    These records are published under CC BY 4.0.

    this record as data: /data/molecule/iso-e-super.json · version 1 · updated 2026-09-30 · confidence A