RIFM fragrance ingredient safety assessment, p-mentha-1,4-diene, CAS Registry Number 99-85-4
Section snippets
Identification
- 1.
Chemical Name: p-Mentha-1,4-diene
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CAS Registry Number: 99-85-4
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Synonyms: Crithmene; 1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-; 1-Methyl-4-isopropyl-1,4-cyclohexadiene; Moslene; γ-Terpinene; p-メンター1,3-(-3,7 又は-1,4)-ジエン; 1-Isopropyl-4-methylcyclohexa-1,4-diene; p-Mentha-1,4-diene
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Molecular Formula: C₁₀H₁₆
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Molecular Weight: 136.23
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RIFM Number: 469
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Stereochemistry: Isomer not specified. No stereocenter present and no stereoisomers possible.
Physical data
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Boiling Point: 182 °C (Fragrance Materials Association [FMA]), 169.36 °C (EPI Suite)
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Flash Point: 52 °C (Globally Harmonized System), 125 °F; CC (FMA)
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Log KOW: 4.75 (EPI Suite)
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Melting Point: −31.15 °C (EPI Suite)
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Water Solubility: 3.618 mg/L (EPI Suite)
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Specific Gravity: 0.846 (FMA)
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Vapor Pressure: 0.811 mm Hg at 20 °C (EPI Suite v4.0), 1.15 mm Hg at 25 °C (EPI Suite)
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UV Spectra: No significant absorbance between 290 and 700 nm; molar absorption coefficient is below the benchmark (1000 L mol−1 ∙ cm−1)
Volume of use (worldwide band)
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100–1000 metric tons per year (IFRA, 2015)
Exposure to fragrance ingredient (Creme RIFM Aggregate Exposure Model v2.0)
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95th Percentile Concentration in Fine Fragrance: 0.11% (RIFM, 2019)
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Inhalation Exposure*: 0.00012 mg/kg/day or 0.0090 mg/day (RIFM, 2019)
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Total Systemic Exposure**: 0.0020 mg/kg/day (RIFM, 2019)
*95th percentile calculated exposure derived from concentration survey data in the Creme RIFM Aggregate Exposure Model (Comiskey, 2015, 2017; Safford, 2015, 2017).
**95th percentile calculated exposure; assumes 100% absorption unless modified by dermal absorption data as reported in Section V. It is derived
Derivation of systemic absorption
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Dermal: Assumed 100%
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Oral: Assumed 100%
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Inhalation: Assumed 100%
Metabolism
No relevant data available for inclusion in this safety assessment.
Additional References: None.
Natural occurrence
p-Mentha-1,4-diene is reported to occur in the following foods by the VCF*:
Satureja species
Cumin Seed (Cuminum cyminum L.)
Origanum (Spanish) (Coridothymus cap. (L.) Rchb.)
Tarragon (Artemisia dracunculus L.)
Mace (Myristica fragrans Houttuyn)
Cardamom (Ellettaria cardamomum Maton.)
Pistacia atlantica
Turpentine Oil (Pistacia terebinthus)
Nutmeg (Myristica fragrans Houttuyn)
Coriander Leaf (Coriandrum sativum L.)
*VCF (Volatile Compounds in Food): Database/Nijssen, L.M.; Ingen-Visscher, C.A. van;
REACH dossier
Available; accessed 08/28/20 (ECHA, 2018).
Conclusion
The existing information supports the use of this material as described in this safety assessment.
Genotoxicity
Based on the current existing data, p-mentha-1,4-diene does not present a concern for genotoxicity.
Literature Search*
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RIFM Database: Target, Fragrance Structure-Activity Group materials, other references, JECFA, CIR, SIDS
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ECHA: https://echa.europa.eu/
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OECD Toolbox: https://www.oecd.org/chemicalsafety/risk-assessment/oecd-qsar-toolbox.htm
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SciFinder: https://scifinder.cas.org/scifinder/view/scifinder/scifinderExplore.jsf
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National Library of Medicine's Toxicology Information Services: https://toxnet.nlm.nih.gov/
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Declaration of competing interest
The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
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