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Station 4 of 13 · Molecule · the record

Limonene

Limonene, C10H16, is the monoterpene a review of bergamot oil names first among its volatile constituents. Its identity is PubChem’s.

No share is given: the review’s range comes without a sample count or method. Its volatility class is the simulator’s modeled constant, not a measurement.

Read the essay · The card · The material · 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 Limonene model: hatched atoms joined by ruled bonds, the hydrogens left out.

molecule

The Limonene molecule

A computed 3D conformer , modeled, not a photograph of a molecule. PubChem CID 22311.

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 Limonene (CID 22311, conformer 0000572700000001): the shape a computer model gives the molecule, not an experimental structure and not a picture of a real molecule. Ball and stick: 10 carbon; the 16 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): 13.1 cm tall, 29.9 cm across
Atoms
10 carbon · 10 bonds between them
Colours
carbon: ink sepia-2; 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 22311 (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 13 KB · USDZ 30 KB · the drawing (SVG) 4 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
Limonene
documented

1-Methyl-4-Prop-1-En-2-Ylcyclohexene

PUBCHEM-22311 · PubChem Compound Summary for CID 22311, 1-Methyl-4-Prop-1-En-2-Ylcyclohexene · read 2026-09-27

confidence A

CAS
138-86-3
documented

verified: the CAS is among the CID's PubChem synonyms

PUBCHEM-22311 · PubChem Compound Summary for CID 22311, 1-Methyl-4-Prop-1-En-2-Ylcyclohexene · read 2026-09-27

confidence A

PubChem CID
22311
documented

PUBCHEM-22311 · PubChem Compound Summary for CID 22311, 1-Methyl-4-Prop-1-En-2-Ylcyclohexene · read 2026-09-27

confidence A

Formula
C10H16
documented

PUBCHEM-22311 · PubChem Compound Summary for CID 22311, 1-Methyl-4-Prop-1-En-2-Ylcyclohexene · read 2026-09-27

confidence A

Molecular weight
136.23
documented

PUBCHEM-22311 · PubChem Compound Summary for CID 22311, 1-Methyl-4-Prop-1-En-2-Ylcyclohexene · read 2026-09-27

g/mol, as PubChem states it

confidence A

IUPAC name
1-methyl-4-prop-1-en-2-ylcyclohexene
documented

PUBCHEM-22311 · PubChem Compound Summary for CID 22311, 1-Methyl-4-Prop-1-En-2-Ylcyclohexene · read 2026-09-27

confidence A

SMILES
CC1=CCC(CC1)C(=C)C
documented

PUBCHEM-22311 · PubChem Compound Summary for CID 22311, 1-Methyl-4-Prop-1-En-2-Ylcyclohexene · read 2026-09-27

confidence A

InChIKey
XMGQYMWWDOXHJM-UHFFFAOYSA-N
documented

PUBCHEM-22311 · PubChem Compound Summary for CID 22311, 1-Methyl-4-Prop-1-En-2-Ylcyclohexene · read 2026-09-27

confidence A

Odour threshold
0.038 ppm (v/v) in air (triangle odour bag method, a panel of six screened assessors; detection threshold in ppm (v/v))
measured

OT-3 · Nagata (2003). Measurement of Odor Threshold by Triangle Odor Bag Method · read 2026-09-30

isomer not stated, as this record; in water, (R)-limonene 13 µg/kg and (S)-limonene 8.0 µg/kg (OT-1)

confidence A

Descriptors
bright, fresh
house interpretation

the house’s own reading, labelled as such

the house card’s words (the /materials naturals limonene card); no descriptor source is filed

where the site says it: /materials, “The molecules behind nature’s masterworks”

confidence C

Volatility class
top
modeled

modeled

the volatility simulator’s act, a site constant: the house’s volatility table says its values “were chosen for the simulator and are not measurements”

confidence C

Regulation
documented

EU-2009-1223, EU-2023-1545: each record above quotes its entry.

3D structure
PubChem computed 3D conformer · 26 atoms, 26 bonds
modeled

PUBCHEM-22311 · PubChem Compound Summary for CID 22311, 1-Methyl-4-Prop-1-En-2-Ylcyclohexene · read 2026-09-27

PubChem’s computed 3D conformer: a model, drawn schematically, not an experimental structure (the house’s molecules data note)

confidence A

Wikidata
Q278809
documented

P662 PubChem CID: 22311

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

the item states PubChem CID 22311 (P662) and the record’s InChIKey (P235); found by the statement search haswbstatement:P662=22311

confidence A

Odeuropa
EOKG concept
documented

{"concept":"http://data.odeuropa.eu/vocabulary/flavornet/odorants/209","relation":"owl:sameAs","via":"Q278809","label":"limonene","scheme":"http://data.odeuropa.eu/vocabulary/flavornet/odorants/"}

ODEUROPA-1 · Lisena, P., Ehrhart, T., Troncy, R · read 2026-09-30

the EOKG concept “limonene” states owl:sameAs Q278809 and the record’s CAS (wdt:P231); other linked concepts: http://data.odeuropa.eu/vocabulary/dravnieks/odorants/90

confidence A

Occurs in
In teaching accords

Sources

  1. PUBCHEM-22311 · PubChem Compound Summary for CID 22311, 1-Methyl-4-Prop-1-En-2-Ylcyclohexene (1-methyl-4-prop-1-en-2-ylcyclohexene). National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine; live database, read 2026-09-27 through the PUG REST endpoints listed in the house’s molecules data. pubchem.ncbi.nlm.nih.gov/compound/22311 · read 2026-09-27 · public domain (US government work, NCBI/NLM); acknowledgement requested , cite PubChem
  2. OT-3 · Nagata Y. Measurement of Odor Threshold by Triangle Odor Bag Method. In: Odor Measurement Review, pp. 118–127. Ministry of the Environment, Government of Japan (undated on the page; about 2003). www.env.go.jp/en/air/odor/measure/02_3_2.pdf · read 2026-09-30 · no reuse licence stated; short quotes and single facts only, under fair use (quoted, not reproduced)
  3. OT-1 · Kreissl J, Mall V, Steinhaus P, Steinhaus M. Leibniz-LSB@TUM Odorant Database, Version 1.2. Leibniz Institute for Food Systems Biology at the Technical University of Munich: Freising, Germany, 2022. www.leibniz-lsb.de/en/databases/leibniz-lsbtum-o… · read 2026-09-30 · free of charge; scientific use encouraged with full acknowledgement; systematic download or reproduction needs written permission (quoted, not reproduced)
  4. 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
  5. ODEUROPA-1 · Lisena, P., Ehrhart, T., Troncy, R. European Olfactory Knowledge Graph (EOKG), Odeuropa project. Zenodo, 2024. doi:10.5281/zenodo.10709703. SPARQL endpoint https://data.odeuropa.eu/repositories/odeuropa, read 2026-09-30. doi.org/10.5281/zenodo.10709703 · read 2026-09-30 · CC BY 4.0

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

this record as data: /data/molecule/limonene.json · version 5 · updated 2026-10-01 · confidence A