Pulegol

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  • Identifiers

    CAS number
    529-02-2

    Molecular formula
    C10H18O

    SMILES
    CC1CCC(=C(C)C)C(C1)O

    Retention indicies (RI)

    • DB5: 1213.0

  • Odor profile

    Herbal 77.49%
    Mint 75.61%
    Camphoreous 64.37%
    Cooling 56.32%
    Sweet 55.44%
    Woody 50.95%
    Fresh 48.27%
    Earthy 45.68%
    Musty 45.34%
    Spicy 41.06%

    Scent© AI

  • Properties

    XLogP3-AA
    2.4

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    228°C

    Flash point est.
    92.77 ˚C

  • Synonyms

    • Pulegol
    • 529-02-2
    • 5-methyl-2-(propan-2-ylidene)cyclohexan-1-ol
    • neoiso-Isopulegol
    • 5-methyl-2-(1-methylethylidene)cyclohexanol
    • Cyclohexanol, 5-methyl-2-(1-methylethylidene)-
    • 5-methyl-2-propan-2-ylidenecyclohexan-1-ol
    • EINECS 208-448-0
    • UNII-H2VTN6VVH7
    • H2VTN6VVH7
    • SCHEMBL2684088
    • DTXSID60967362
    • AKOS000125963
    • NS00042930
    • EN300-108442
    • Q67880017

  • Applications

    Pulegol (CAS 529-02-2) is a minty, herbaceous monoterpenoid alcohol used as a flavor and fragrance modifier in oral care, confectionery, chewing gum, and perfumery to impart cool green notes; as a chemical intermediate in terpenoid manufacturing streams (e.g., isomerization/reduction routes leading to menthol, neomenthol, isomenthol, and other menthyl derivatives); as a chiral building block in asymmetric synthesis; as a GC/MS reference standard for mint- and citronellal-derived essential oils; and as a model compound in studies of monoterpene bioactivity (antimicrobial, insect-repellent, antioxidant) and in catalyst development for acid/metal-promoted cyclization–hydrogenation, with use typically constrained by isomeric purity control and safety guidelines due to potential skin irritation.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1860.77
    methanol 1807.75
    isopropanol 1571.31
    water 0.92
    ethyl acetate 572.06
    n-propanol 1346.64
    acetone 863.36
    n-butanol 1244.85
    acetonitrile 1574.59
    DMF 467.09
    toluene 320.77
    isobutanol 786.33
    1,4-dioxane 1967.89
    methyl acetate 540.77
    THF 2640.55
    2-butanone 635.67
    n-pentanol 624.01
    sec-butanol 861.0
    n-hexane 194.15
    ethylene glycol 74.39
    NMP 343.15
    cyclohexane 348.71
    DMSO 406.33
    n-butyl acetate 782.74
    n-octanol 357.14
    chloroform 1862.61
    n-propyl acetate 369.45
    acetic acid 580.51
    dichloromethane 1307.36
    cyclohexanone 853.22
    propylene glycol 150.62
    isopropyl acetate 312.07
    DMAc 223.45
    2-ethoxyethanol 425.26
    isopentanol 727.65
    n-heptane 228.6
    ethyl formate 497.76
    1,2-dichloroethane 625.81
    n-hexanol 1170.31
    2-methoxyethanol 845.98
    isobutyl acetate 230.15
    tetrachloromethane 315.41
    n-pentyl acetate 313.24
    transcutol 1146.82
    n-heptanol 382.1
    ethylbenzene 140.99
    MIBK 293.53
    2-propoxyethanol 910.33
    tert-butanol 1212.13
    MTBE 775.91
    2-butoxyethanol 442.89
    propionic acid 409.99
    o-xylene 160.33
    formic acid 132.69
    diethyl ether 1153.47
    m-xylene 199.89
    p-xylene 192.32
    chlorobenzene 378.88
    dimethyl carbonate 78.81
    n-octane 63.49
    formamide 192.06
    cyclopentanone 883.38
    2-pentanone 560.28
    anisole 240.44
    cyclopentyl methyl ether 647.91
    gamma-butyrolactone 820.55
    1-methoxy-2-propanol 559.72
    pyridine 970.47
    3-pentanone 303.09
    furfural 566.34
    n-dodecane 40.52
    diethylene glycol 356.32
    diisopropyl ether 235.86
    tert-amyl alcohol 628.41
    acetylacetone 303.21
    n-hexadecane 46.95
    acetophenone 175.46
    methyl propionate 294.88
    isopentyl acetate 559.94
    trichloroethylene 949.47
    n-nonanol 285.8
    cyclohexanol 694.44
    benzyl alcohol 224.1
    2-ethylhexanol 488.89
    isooctanol 273.99
    dipropyl ether 645.32
    1,2-dichlorobenzene 264.92
    ethyl lactate 110.35
    propylene carbonate 437.0
    n-methylformamide 391.03
    2-pentanol 636.94
    n-pentane 239.55
    1-propoxy-2-propanol 645.06
    1-methoxy-2-propyl acetate 369.04
    2-(2-methoxypropoxy) propanol 262.1
    mesitylene 129.61
    ε-caprolactone 629.23
    p-cymene 148.82
    epichlorohydrin 941.1
    1,1,1-trichloroethane 692.41
    2-aminoethanol 264.38
    morpholine-4-carbaldehyde 502.98
    sulfolane 469.1
    2,2,4-trimethylpentane 65.51
    2-methyltetrahydrofuran 1482.48
    n-hexyl acetate 426.43
    isooctane 69.55
    2-(2-butoxyethoxy)ethanol 437.36
    sec-butyl acetate 211.26
    tert-butyl acetate 297.81
    decalin 85.18
    glycerin 158.6
    diglyme 731.88
    acrylic acid 246.73
    isopropyl myristate 154.93
    n-butyric acid 863.45
    acetyl acetate 241.5
    di(2-ethylhexyl) phthalate 124.76
    ethyl propionate 233.05
    nitromethane 687.18
    1,2-diethoxyethane 617.5
    benzonitrile 433.31
    trioctyl phosphate 106.45
    1-bromopropane 710.29
    gamma-valerolactone 950.55
    n-decanol 197.1
    triethyl phosphate 116.91
    4-methyl-2-pentanol 293.02
    propionitrile 1096.61
    vinylene carbonate 392.1
    1,1,2-trichlorotrifluoroethane 368.8
    DMS 165.49
    cumene 104.8
    2-octanol 244.91
    2-hexanone 413.67
    octyl acetate 188.97
    limonene 263.99
    1,2-dimethoxyethane 854.58
    ethyl orthosilicate 131.65
    tributyl phosphate 124.47
    diacetone alcohol 290.17
    N,N-dimethylaniline 136.77
    acrylonitrile 787.14
    aniline 384.98
    1,3-propanediol 541.29
    bromobenzene 353.76
    dibromomethane 1020.71
    1,1,2,2-tetrachloroethane 684.0
    2-methyl-cyclohexyl acetate 254.43
    tetrabutyl urea 141.63
    diisobutyl methanol 250.02
    2-phenylethanol 331.88
    styrene 175.99
    dioctyl adipate 172.7
    dimethyl sulfate 83.33
    ethyl butyrate 388.59
    methyl lactate 109.79
    butyl lactate 204.26
    diethyl carbonate 204.23
    propanediol butyl ether 302.64
    triethyl orthoformate 254.63
    p-tert-butyltoluene 151.55
    methyl 4-tert-butylbenzoate 194.74
    morpholine 1991.6
    tert-butylamine 920.39
    n-dodecanol 142.38
    dimethoxymethane 443.37
    ethylene carbonate 377.64
    cyrene 179.05
    2-ethoxyethyl acetate 310.3
    2-ethylhexyl acetate 429.13
    1,2,4-trichlorobenzene 276.97
    4-methylpyridine 778.82
    dibutyl ether 420.12
    2,6-dimethyl-4-heptanol 250.02
    DEF 359.35
    dimethyl isosorbide 377.94
    tetrachloroethylene 463.56
    eugenol 183.36
    triacetin 223.4
    span 80 297.46
    1,4-butanediol 139.85
    1,1-dichloroethane 905.61
    2-methyl-1-pentanol 397.04
    methyl formate 252.54
    2-methyl-1-butanol 598.57
    n-decane 80.87
    butyronitrile 1346.1
    3,7-dimethyl-1-octanol 293.9
    1-chlorooctane 231.15
    1-chlorotetradecane 78.16
    n-nonane 84.32
    undecane 55.27
    tert-butylcyclohexane 83.9
    cyclooctane 96.73
    cyclopentanol 734.37
    tetrahydropyran 2141.8
    tert-amyl methyl ether 362.91
    2,5,8-trioxanonane 429.69
    1-hexene 496.21
    2-isopropoxyethanol 284.36
    2,2,2-trifluoroethanol 117.29
    methyl butyrate 334.59

    Scent© AI

1 4

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
Juniperus flaccida var. flaccida Juniperus flaccida Schlecht, var. flaccida, fam. Cupressaceae 0.2%
Mentha longifolia (Lithuania) 90063-99-3 Mentha longifolia (L.) Hudson, fam. Lamiaceae (Labiatae) 0.07%
Bergamot leaf (China) 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.06%
Rose (Bulgaria) 4a 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.1%
Rose (Bulgaria) 4b 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.1%
Rose (Bulgaria) 4c 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.01%
Lemon balm (Italy) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 0.16%
Eucalyptus citriodora (Benin) 2 8000-48-4 Eucalyptus citriodora Hook. f., fam. Myrtaceae 1.5%
Backhousia citriodora Backhousia citriodora F. Muell., fam. Myrtaceae 0.35%