Pregeijerene

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    20082-17-1

    Molecular formula
    C12H18

    SMILES
    C/C/1=C/CC/C(=C\C=C/CC1)/C

    Retention indicies (RI)

    • DB5: 1290.5

  • Odor profile

    Citrus 65.27%
    Lemon 48.73%
    Woody 46.82%
    Spicy 38.14%
    Terpenic 32.87%
    Dry 30.81%
    Gassy 29.97%
    Herbal 28.22%
    Earthy 27.31%
    Musk 24.39%

    Scent© AI

  • Properties

    XLogP3-AA
    3.4

    Molecular weight
    162.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    235°C

    Flash point est.
    76.47 ˚C

  • Synonyms

    • Pregeijerene
    • 1,7-Dimethyl-1,3,7-cyclodecatriene
    • (1Z,3Z,7Z)-1,7-dimethylcyclodeca-1,3,7-triene
    • 20082-17-1
    • 1,3,7-Cyclodecatriene, 1,7-dimethyl-, (Z,E,E,)-
    • YM3LGL8GB8
    • CHEBI:191546
    • 1,5-dimethylcyclodeca-1,5,7-triene
    • 1,3,7-Cyclodecatriene, 1,7-dimethyl-
    • 1,7-DIMETHYLCYCLODECA-1,3,7-TRIENE
    • (1E,3Z,7E)-1,7-Dimethyl-1,3,7-cyclodecatriene
    • 1,3,7-Cyclodecatriene, 1,7-dimethyl-, (1E,3Z,7E)-

  • Applications

    Pregeijerene (CAS 20082-17-1) is a naturally occurring sesquiterpene found in several essential oils (notably citrus leaf/petitgrain and related botanicals) and is mainly applied in three areas: (1) fragrance/flavor work—adding green, woody-herbal nuances when preserving natural compositions or recreating the odor profile of pregeijerene-rich oils (most often encountered as part of essential oils rather than as a standalone ingredient); (2) analytical quality control—serving as a GC–MS marker for identification, quantification, authentication, and adulteration detection of essential oils; and (3) research—used as a reference standard for studies on terpene biosynthesis, isomer resolution, and chemical ecology (plant–insect interactions), for exploratory bioactivity screening (e.g., antimicrobial or insect-repellent prospects), and occasionally as a model/intermediate in developing synthesis and extraction methods.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 137.95
    methanol 54.28
    isopropanol 144.84
    water 0.02
    ethyl acetate 314.3
    n-propanol 154.55
    acetone 241.81
    n-butanol 209.31
    acetonitrile 135.27
    DMF 142.58
    toluene 462.39
    isobutanol 124.03
    1,4-dioxane 579.52
    methyl acetate 200.1
    THF 952.17
    2-butanone 316.05
    n-pentanol 152.39
    sec-butanol 175.72
    n-hexane 390.79
    ethylene glycol 10.27
    NMP 195.97
    cyclohexane 567.08
    DMSO 201.16
    n-butyl acetate 733.36
    n-octanol 191.53
    chloroform 657.23
    n-propyl acetate 234.28
    acetic acid 68.84
    dichloromethane 582.39
    cyclohexanone 478.9
    propylene glycol 28.41
    isopropyl acetate 233.86
    DMAc 186.96
    2-ethoxyethanol 105.33
    isopentanol 191.91
    n-heptane 718.22
    ethyl formate 105.59
    1,2-dichloroethane 395.62
    n-hexanol 476.91
    2-methoxyethanol 120.11
    isobutyl acetate 183.84
    tetrachloromethane 174.7
    n-pentyl acetate 244.94
    transcutol 675.06
    n-heptanol 190.18
    ethylbenzene 250.5
    MIBK 243.33
    2-propoxyethanol 320.05
    tert-butanol 234.72
    MTBE 382.55
    2-butoxyethanol 173.89
    propionic acid 81.96
    o-xylene 247.12
    formic acid 5.72
    diethyl ether 566.98
    m-xylene 291.17
    p-xylene 266.35
    chlorobenzene 286.88
    dimethyl carbonate 58.52
    n-octane 151.72
    formamide 11.59
    cyclopentanone 430.72
    2-pentanone 328.46
    anisole 255.1
    cyclopentyl methyl ether 545.22
    gamma-butyrolactone 315.3
    1-methoxy-2-propanol 152.55
    pyridine 452.67
    3-pentanone 277.32
    furfural 208.42
    n-dodecane 77.32
    diethylene glycol 96.99
    diisopropyl ether 227.89
    tert-amyl alcohol 211.27
    acetylacetone 248.06
    n-hexadecane 88.83
    acetophenone 193.56
    methyl propionate 184.55
    isopentyl acetate 530.5
    trichloroethylene 521.13
    n-nonanol 179.83
    cyclohexanol 266.4
    benzyl alcohol 116.9
    2-ethylhexanol 470.26
    isooctanol 156.59
    dipropyl ether 976.46
    1,2-dichlorobenzene 231.48
    ethyl lactate 69.7
    propylene carbonate 222.46
    n-methylformamide 40.07
    2-pentanol 197.49
    n-pentane 290.78
    1-propoxy-2-propanol 364.29
    1-methoxy-2-propyl acetate 349.31
    2-(2-methoxypropoxy) propanol 232.26
    mesitylene 199.14
    ε-caprolactone 354.42
    p-cymene 269.75
    epichlorohydrin 394.39
    1,1,1-trichloroethane 459.76
    2-aminoethanol 29.16
    morpholine-4-carbaldehyde 214.31
    sulfolane 329.89
    2,2,4-trimethylpentane 88.04
    2-methyltetrahydrofuran 790.58
    n-hexyl acetate 340.48
    isooctane 88.54
    2-(2-butoxyethoxy)ethanol 289.01
    sec-butyl acetate 189.4
    tert-butyl acetate 277.35
    decalin 173.36
    glycerin 30.32
    diglyme 506.56
    acrylic acid 49.63
    isopropyl myristate 200.41
    n-butyric acid 194.72
    acetyl acetate 168.31
    di(2-ethylhexyl) phthalate 128.12
    ethyl propionate 207.92
    nitromethane 94.89
    1,2-diethoxyethane 577.86
    benzonitrile 199.29
    trioctyl phosphate 104.87
    1-bromopropane 586.66
    gamma-valerolactone 323.2
    n-decanol 143.36
    triethyl phosphate 148.66
    4-methyl-2-pentanol 130.45
    propionitrile 200.68
    vinylene carbonate 153.21
    1,1,2-trichlorotrifluoroethane 150.3
    DMS 158.52
    cumene 165.28
    2-octanol 135.73
    2-hexanone 293.67
    octyl acetate 211.21
    limonene 466.7
    1,2-dimethoxyethane 344.78
    ethyl orthosilicate 164.83
    tributyl phosphate 129.62
    diacetone alcohol 196.09
    N,N-dimethylaniline 200.25
    acrylonitrile 127.36
    aniline 193.07
    1,3-propanediol 54.22
    bromobenzene 384.17
    dibromomethane 562.88
    1,1,2,2-tetrachloroethane 457.5
    2-methyl-cyclohexyl acetate 292.26
    tetrabutyl urea 173.64
    diisobutyl methanol 259.27
    2-phenylethanol 215.1
    styrene 272.63
    dioctyl adipate 220.32
    dimethyl sulfate 76.89
    ethyl butyrate 472.56
    methyl lactate 53.18
    butyl lactate 124.27
    diethyl carbonate 228.09
    propanediol butyl ether 116.84
    triethyl orthoformate 295.96
    p-tert-butyltoluene 253.29
    methyl 4-tert-butylbenzoate 217.12
    morpholine 538.08
    tert-butylamine 229.7
    n-dodecanol 124.61
    dimethoxymethane 199.43
    ethylene carbonate 157.7
    cyrene 137.89
    2-ethoxyethyl acetate 252.32
    2-ethylhexyl acetate 499.62
    1,2,4-trichlorobenzene 244.62
    4-methylpyridine 405.08
    dibutyl ether 534.5
    2,6-dimethyl-4-heptanol 259.27
    DEF 269.64
    dimethyl isosorbide 392.66
    tetrachloroethylene 283.59
    eugenol 154.81
    triacetin 224.73
    span 80 232.89
    1,4-butanediol 25.92
    1,1-dichloroethane 404.07
    2-methyl-1-pentanol 158.56
    methyl formate 34.91
    2-methyl-1-butanol 169.16
    n-decane 138.94
    butyronitrile 294.18
    3,7-dimethyl-1-octanol 228.09
    1-chlorooctane 282.66
    1-chlorotetradecane 122.53
    n-nonane 166.0
    undecane 97.94
    tert-butylcyclohexane 147.06
    cyclooctane 252.29
    cyclopentanol 206.65
    tetrahydropyran 971.57
    tert-amyl methyl ether 313.29
    2,5,8-trioxanonane 372.73
    1-hexene 614.96
    2-isopropoxyethanol 117.04
    2,2,2-trifluoroethanol 15.89
    methyl butyrate 253.56

    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
Anise seed 3 8007-70-3 Pimpinella anisum L., fam. Apiaceae (Umbelliferae) 0.01%
Anise herb 8007-70-3 Pimpinella anisum L., fam. Apiaceae (Umbelliferae) 1.62%
Anise root 8007-70-3 Pimpinella anisum L., fam. Apiaceae (Umbelliferae) 12.78%
Pimpinella diversifolia root Pimpinella diversifolia DC., fam. Apiaceae (Umbelliferae) 3.0%
Pimpinella major root Pimpinella major (L.) Hudson, fam. Apiaceae (Umbelliferae) 10.36%
Pimpinella peregrina root Pimpinella peregrina L., fam. Apiaceae (Umbelliferae) 11.01%
Pimpinella saxifraga root Pimpinella saxifraga L., fam. Apiaceae (Umbelliferae) 9.18%
Pimpinella saxifraga ssp. nigra, root Pimpinella saxifraga (L.) ssp. nigra Mill., fam. Apiaceae (Umbelliferae) 6.01%
Rue (Malaysia) 1 8014-29-7 Ruta graveolens L., fam. Rutaceae 0.05%
Rue (Egypt) 8014-29-7 Ruta graveolens L., fam. Rutaceae 2.1%
Skimmia laureola (India) 4 Skimmia laureola Sieb. et Zucc., fam. Rutaceae 12.3%
Wiedemannia orientalis Wiedemannia orientalis Fisch. et Mey., fam. Lamiaceae (Labiatae) 12.9%
Ruta chalepensis (Turkey) Ruta chalepensis L., fam. Rutaceae 0.09%
Rue (Cuba) 8014-29-7 Ruta graveolens L., fam. Rutaceae 0.52%
Ruta chalepensis (Greece) Ruta chalepensis L., fam. Rutaceae 0.05%