alpha-Duprezianene

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  • Identifiers

    CAS number
    79801-29-9

    Molecular formula
    C15H24

    SMILES
    C[C@@H]1CCC2[C@@]13CC[C@H](C2(C)C)C(=C3)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 89.82%
    Sweet 55.16%
    Dry 54.0%
    Amber 50.33%
    Spicy 45.57%
    Cedar 44.99%
    Fresh 36.87%
    Pine 36.61%
    Camphoreous 36.06%
    Balsamic 35.78%

     

    Flavor
    Sweet 66.8%
    Woody 66.06%
    Pine 46.91%
    Dry 44.77%
    Wood 42.32%
    Fresh 42.19%
    Camphor 40.61%
    Earthy 35.49%
    Balsam 32.77%
    Green 30.26%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    10.21 (weak base)

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    254°C

    Flash point

    • 113.99 ˚C est.

  • Synonyms

    • .alpha.-Duprezianene
    • (1S,2R,5S,7S)-2,6,6,8-tetramethyltricyclo(5.2.2.01,5)undec-8-ene
    • (1S,2R,5S,7S)-2,6,6,8-tetramethyltricyclo[5.2.2.01,5]undec-8-ene
    • alpha-Duprezianene
    • RefChem:111223
    • 79801-29-9
    • RXIZECQHNGXURN-RLCAUIQDSA-N
    • SCHEMBL30105689
    • 79801-29-9

  • Applications

    alpha-Duprezianene (CAS 79801-29-9) is primarily considered a fragrance-related compound and is commonly evaluated for use as an odorant and fragrance ingredient in perfumery. It can be incorporated into cosmetics and personal care formulations to impart aroma. It may also find application in household products such as air fresheners and cleaners as a fragrance additive; in industrial manufacturing as an intermediate or odorant component in fragrance formulations; in polymers, plastics, coatings, and inks as a scent-enhancing additive; and may be explored for use as a flavor/aroma compound in food processing under appropriate regulatory approvals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 118.53
    methanol 100.17
    isopropanol 114.77
    water 0.67
    ethyl acetate 344.01
    n-propanol 141.61
    acetone 370.45
    n-butanol 156.68
    acetonitrile 237.93
    DMF 345.14
    toluene 611.88
    isobutanol 119.07
    1,4-dioxane 741.5
    methyl acetate 278.92
    THF 1349.03
    2-butanone 330.54
    n-pentanol 86.3
    sec-butanol 99.14
    n-hexane 84.61
    ethylene glycol 22.95
    NMP 374.17
    cyclohexane 190.26
    DMSO 169.34
    n-butyl acetate 369.87
    n-octanol 127.12
    chloroform 665.55
    n-propyl acetate 191.79
    acetic acid 81.68
    dichloromethane 599.86
    cyclohexanone 633.39
    propylene glycol 28.77
    isopropyl acetate 305.39
    DMAc 249.71
    2-ethoxyethanol 120.65
    isopentanol 145.68
    n-heptane 110.54
    ethyl formate 164.6
    1,2-dichloroethane 449.3
    n-hexanol 251.16
    2-methoxyethanol 205.99
    isobutyl acetate 187.44
    tetrachloromethane 211.7
    n-pentyl acetate 237.1
    transcutol 371.31
    n-heptanol 145.87
    ethylbenzene 224.6
    MIBK 278.75
    2-propoxyethanol 350.58
    tert-butanol 149.41
    MTBE 296.75
    2-butoxyethanol 207.13
    propionic acid 106.34
    o-xylene 294.32
    formic acid 23.3
    diethyl ether 428.53
    m-xylene 424.93
    p-xylene 259.06
    chlorobenzene 412.37
    dimethyl carbonate 175.48
    n-octane 47.96
    formamide 42.9
    cyclopentanone 803.81
    2-pentanone 352.94
    anisole 300.8
    cyclopentyl methyl ether 668.74
    gamma-butyrolactone 664.77
    1-methoxy-2-propanol 201.47
    pyridine 533.93
    3-pentanone 307.14
    furfural 426.32
    n-dodecane 31.46
    diethylene glycol 162.62
    diisopropyl ether 213.38
    tert-amyl alcohol 114.86
    acetylacetone 413.8
    n-hexadecane 37.97
    acetophenone 228.13
    methyl propionate 282.29
    isopentyl acetate 354.49
    trichloroethylene 664.1
    n-nonanol 121.3
    cyclohexanol 223.43
    benzyl alcohol 147.64
    2-ethylhexanol 187.55
    isooctanol 125.13
    dipropyl ether 340.47
    1,2-dichlorobenzene 343.23
    ethyl lactate 90.68
    propylene carbonate 333.21
    n-methylformamide 144.69
    2-pentanol 122.9
    n-pentane 99.69
    1-propoxy-2-propanol 265.34
    1-methoxy-2-propyl acetate 384.3
    2-(2-methoxypropoxy) propanol 174.84
    mesitylene 304.01
    ε-caprolactone 463.11
    p-cymene 189.29
    epichlorohydrin 652.33
    1,1,1-trichloroethane 477.24
    2-aminoethanol 46.61
    morpholine-4-carbaldehyde 437.41
    sulfolane 515.7
    2,2,4-trimethylpentane 49.3
    2-methyltetrahydrofuran 693.09
    n-hexyl acetate 295.28
    isooctane 58.05
    2-(2-butoxyethoxy)ethanol 219.57
    sec-butyl acetate 176.74
    tert-butyl acetate 335.33
    decalin 89.94
    glycerin 47.74
    diglyme 449.6
    acrylic acid 86.07
    isopropyl myristate 151.38
    n-butyric acid 190.99
    acetyl acetate 255.15
    di(2-ethylhexyl) phthalate 109.3
    ethyl propionate 212.64
    nitromethane 206.52
    1,2-diethoxyethane 282.36
    benzonitrile 269.84
    trioctyl phosphate 97.03
    1-bromopropane 359.96
    gamma-valerolactone 733.08
    n-decanol 92.74
    triethyl phosphate 135.76
    4-methyl-2-pentanol 111.51
    propionitrile 262.92
    vinylene carbonate 305.37
    1,1,2-trichlorotrifluoroethane 226.38
    DMS 268.24
    cumene 160.36
    2-octanol 102.23
    2-hexanone 203.56
    octyl acetate 162.65
    limonene 243.88
    1,2-dimethoxyethane 312.18
    ethyl orthosilicate 141.57
    tributyl phosphate 110.02
    diacetone alcohol 223.1
    N,N-dimethylaniline 202.91
    acrylonitrile 251.34
    aniline 294.93
    1,3-propanediol 91.38
    bromobenzene 510.67
    dibromomethane 458.83
    1,1,2,2-tetrachloroethane 463.46
    2-methyl-cyclohexyl acetate 219.62
    tetrabutyl urea 131.61
    diisobutyl methanol 138.08
    2-phenylethanol 250.42
    styrene 245.51
    dioctyl adipate 155.33
    dimethyl sulfate 210.34
    ethyl butyrate 262.61
    methyl lactate 112.24
    butyl lactate 131.87
    diethyl carbonate 168.03
    propanediol butyl ether 120.48
    triethyl orthoformate 206.69
    p-tert-butyltoluene 200.52
    methyl 4-tert-butylbenzoate 258.44
    morpholine 587.64
    tert-butylamine 130.21
    n-dodecanol 73.96
    dimethoxymethane 453.42
    ethylene carbonate 291.13
    cyrene 156.11
    2-ethoxyethyl acetate 280.88
    2-ethylhexyl acetate 310.72
    1,2,4-trichlorobenzene 357.8
    4-methylpyridine 551.89
    dibutyl ether 213.41
    2,6-dimethyl-4-heptanol 138.08
    DEF 296.12
    dimethyl isosorbide 366.71
    tetrachloroethylene 349.68
    eugenol 193.35
    triacetin 228.05
    span 80 148.83
    1,4-butanediol 34.33
    1,1-dichloroethane 424.04
    2-methyl-1-pentanol 92.28
    methyl formate 145.65
    2-methyl-1-butanol 129.38
    n-decane 55.53
    butyronitrile 277.2
    3,7-dimethyl-1-octanol 134.24
    1-chlorooctane 149.6
    1-chlorotetradecane 68.01
    n-nonane 55.67
    undecane 40.78
    tert-butylcyclohexane 80.83
    cyclooctane 115.16
    cyclopentanol 211.99
    tetrahydropyran 758.34
    tert-amyl methyl ether 222.79
    2,5,8-trioxanonane 274.5
    1-hexene 161.66
    2-isopropoxyethanol 109.52
    2,2,2-trifluoroethanol 54.52
    methyl butyrate 223.2

    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