Bourbonene (unknown structure)

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    99751-49-2

  • Properties

  • Applications

    Bourbonene (CAS 99751-49-2) has an as-yet unestablished/publicly undefined structure, so its applications are largely analytical and research-oriented rather than direct commercial use: it serves as a tentative marker in GC-MS or GC×GC aroma/metabolite profiling to fingerprint essential oils, natural extracts, and fermented matrices; supports chemotaxonomy, source authentication, and trace-level quality control; helps flavorists/perfumers assess the sensory contribution of trace constituents in raw materials, guiding formulation even without isolating bourbonene as a standalone ingredient; underpins method development (retention index normalization, spectral deconvolution, library curation) and data annotation in metabolomics; provides a case study for structure elucidation, isomer resolution, and dereplication using HRMS/NMR while benchmarking algorithms; and highlights the need for toxicological evaluation and regulatory compliance (e.g., IFRA, REACH) before any product deployment, so it is typically treated as research-use-only in the absence of comprehensive characterization.

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IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Citronella java 1 8000-29-1 Cymbopogon winterianus Jowitt., fam. Poaceae (Gramineae) 0.01%
Myrrh gum (headspace) 8016-37-3 Commiphora myrrha (Nees) Engler, fam. Burseraceae 4.9%
Citronella ceylon 1 8000-29-1 Cymbopogon nardus (L.) Rendle, fam. Poaceae (Gramineae) 1.0%
Lilac, Purple, Picked Flower Headspace 3 Syringa vulgaris L., fam. Oleaceae 0.36%
Thymus pulegioides (Italy) Thymus pulegioides L., fam. Lamiaceae (Labiatae) 0.1%
Olibanum, African (Oman) 8016-36-2 Boswellia frereana Birdwood, fam. Burseraceae 0.5%
Mullilam leaf (India) Zanthoxylum rhetsa D.C. syn. Z. limonella (Dennst.) Alston, fam. Rutaceae 0.2%
Laurel leaf (Turkey) 4 8006-78-8 Laurus nobilis L., fam. Lauraceae 0.1%