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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.

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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
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 (1-methyl-4-p · 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 (1-methyl-4-p · 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 (1-methyl-4-p · 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 (1-methyl-4-p · 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 (1-methyl-4-p · 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 (1-methyl-4-p · 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 (1-methyl-4-p · 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 (1-methyl-4-p · 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 Y · 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, uplifting
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 simulator’s data 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 (1-methyl-4-p · read 2026-09-27

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

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 site’s molecule data. pubchem.ncbi.nlm.nih.gov/compound/22311 · read 2026-09-27 · PubChem data are provided by NCBI; the computed conformer is PubChem-generated. No file from PubChem is stored besides the derived JSON (PUBCHEM-108242, "Licence / reuse", written for CID 108242 and read as PubChem’s general terms; the terms for this CID were not re-read).
  2. GC-3 · Navarra M, Mannucci C, Delbò M, Calapai G. Citrus bergamia essential oil: from basic research to clinical application. Frontiers in Pharmacology 2015;6:36. DOI 10.3389/fphar.2015.00036. PMID 25784877. PMCID PMC4345801. doi.org/10.3389/fphar.2015.00036 · read 2026-09-30 · CC BY (open access, as the article states); short quotes only, the text is not filed
  3. 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 · a government publication, public on the Ministry’s site; no reuse licence stated; short quotes only, the PDF is not filed
  4. 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 (its copyright page, read 2026-09-30): single values are cited with their references, the responses are not filed
  5. EU-2009-1223 · Regulation (EC) No 1223/2009 of the European Parliament and of the Council of 30 November 2009 on cosmetic products (recast). OJ L 342, 22.12.2009, p. 59. eur-lex.europa.eu/eli/reg/2009/1223/oj · read 2026-09-30 · EU legislation; reuse terms not re-read (UNVERIFIED); quoted
  6. 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

These records are published under CC BY 4.0.

this record as data: /data/molecule/limonene.json · version 3 · updated 2026-09-30 · confidence A