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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).

Read the essay · Turn it in 3D

In your room

A model you can turn here or place in your room with a phone. Nothing is fetched until you ask; nothing is stored or sent. Everything you can place in a room.

An engraved drawing of the Iso E Super model: hatched atoms joined by ruled bonds, the hydrogens left out.

molecule

The Iso E Super molecule

A computed 3D conformer , modeled, not a photograph of a molecule. PubChem CID 108242.

To place it in your room, open this page on an iPhone or iPad (AR Quick Look) or an Android phone (Google Scene Viewer). The files below open in any 3D viewer.

PubChem’s computed 3D conformer of Iso E Super (CID 108242, conformer 0001A6D200000004): the shape a computer model gives the molecule, not an experimental structure and not a picture of a real molecule. Ball and stick: 16 carbon, 1 oxygen; the 26 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): 18 cm tall, 29.7 cm across
Atoms
16 carbon, 1 oxygen · 18 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 108242 (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 53 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
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 and Kirschning (2019). Synthetic terpenoids in the world of fragrances: Iso E Super® is the showcase · 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, the house’s iso e super table)

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-2-naphthalenyl)ethanone · 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-2-naphthalenyl)ethanone · 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-2-naphthalenyl)ethanone · 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-2-naphthalenyl)ethanone · 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-2-naphthalenyl)ethanone · 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-2-naphthalenyl)ethanone · 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-2-naphthalenyl)ethanone · read 2026-09-30

confidence A

Odour threshold
withheld: not on record
withheld

no odour-threshold source on record

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 and Kirschning (2019). Synthetic terpenoids in the world of fragrances: Iso E Super® is the showcase · 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 house’s volatility table 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-2-naphthalenyl)ethanone · read 2026-09-30

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

confidence A

Wikidata
Q15720552
documented

P662 PubChem CID: 108242

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

the item states PubChem CID 108242 (P662) and the record’s InChIKey (P235); found by the statement search haswbstatement:P662=108242

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 · public domain (US government work, NCBI/NLM); acknowledgement requested , cite PubChem
    2. 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
    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/the site’s molecule data · version 3 · updated 2026-10-01 · confidence A