1,4,9-Cadinatriene

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  • Identifiers

    CAS number
    71609-04-6

    Molecular formula
    C15H22

    SMILES
    CC1=CC2C(CC=C(C2=CC1)C)C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 65.96%
    Spicy 58.53%
    Fruity 53.76%
    Herbal 50.22%
    Fresh 39.38%
    Citrus 36.1%
    Tropical 29.98%
    Green 28.82%
    Dry 27.87%
    Terpenic 26.7%

     

    Flavor
    Herbal 68.11%
    Woody 66.38%
    Wood 50.69%
    Spice 48.62%
    Herb 44.62%
    Terpene 37.83%
    Spicy 36.21%
    Turpentine 34.63%
    Citrus 34.57%
    Fresh 34.16%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    9.88 (weak base)

    Molecular weight
    202.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    269°C

    Flash point

    • 103.49 ˚C est.

  • Synonyms

    • 1,4,9-Cadinatriene
    • 71609-04-6
    • (-)-Cadala-1,4,9-triene
    • DTXSID401166390
    • 4,7-dimethyl-1-(propan-2-yl)-1,2,6,8a-tetrahydronaphthalene
    • (1S)-1,2,6,8a-Tetrahydro-4,7-dimethyl-1-(1-methylethyl)naphthalene
    • 71609-04-6

  • Applications

    1,4,9-Cadinatriene (CAS number: 71609-04-6) is a hydrocarbon with a cadinane-type sesquiterpene framework, primarily used as an intermediate in fragrance chemistry and the synthesis of aroma compounds. In the fragrance and cosmetics industries, it is commonly employed as a precursor to produce more complex aroma ingredients and can serve as a building block for derivative fragrance materials. It may also function as a base component for fragrance ingredients used in household and personal care products, contributing to scent profiles while remaining within process constraints and formulation limits. In research and development contexts, 1,4,9-Cadinatriene is evaluated as a synthetic intermediate for cadinane-type frameworks and related terpenoids, with use typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 31.07
    methanol 10.86
    isopropanol 35.89
    water 0.01
    ethyl acetate 121.12
    n-propanol 42.03
    acetone 97.64
    n-butanol 58.27
    acetonitrile 38.43
    DMF 75.54
    toluene 323.16
    isobutanol 38.22
    1,4-dioxane 288.28
    methyl acetate 89.44
    THF 561.56
    2-butanone 146.13
    n-pentanol 45.19
    sec-butanol 46.49
    n-hexane 65.56
    ethylene glycol 2.13
    NMP 124.15
    cyclohexane 140.61
    DMSO 54.17
    n-butyl acetate 278.7
    n-octanol 79.3
    chloroform 327.58
    n-propyl acetate 96.82
    acetic acid 19.9
    dichloromethane 308.47
    cyclohexanone 276.34
    propylene glycol 6.84
    isopropyl acetate 105.05
    DMAc 109.74
    2-ethoxyethanol 38.17
    isopentanol 61.87
    n-heptane 129.68
    ethyl formate 46.42
    1,2-dichloroethane 193.96
    n-hexanol 134.42
    2-methoxyethanol 41.5
    isobutyl acetate 98.18
    tetrachloromethane 75.45
    n-pentyl acetate 135.94
    transcutol 242.68
    n-heptanol 71.31
    ethylbenzene 153.88
    MIBK 110.18
    2-propoxyethanol 108.22
    tert-butanol 56.8
    MTBE 134.85
    2-butoxyethanol 72.84
    propionic acid 24.78
    o-xylene 155.56
    formic acid 1.86
    diethyl ether 166.0
    m-xylene 190.79
    p-xylene 180.71
    chlorobenzene 195.86
    dimethyl carbonate 32.76
    n-octane 42.43
    formamide 4.66
    cyclopentanone 284.86
    2-pentanone 139.47
    anisole 170.58
    cyclopentyl methyl ether 255.67
    gamma-butyrolactone 174.63
    1-methoxy-2-propanol 53.87
    pyridine 292.83
    3-pentanone 125.0
    furfural 126.37
    n-dodecane 30.64
    diethylene glycol 34.52
    diisopropyl ether 77.71
    tert-amyl alcohol 61.18
    acetylacetone 127.87
    n-hexadecane 36.11
    acetophenone 140.45
    methyl propionate 83.19
    isopentyl acetate 244.37
    trichloroethylene 313.79
    n-nonanol 82.74
    cyclohexanol 97.93
    benzyl alcohol 77.97
    2-ethylhexanol 146.08
    isooctanol 66.6
    dipropyl ether 248.91
    1,2-dichlorobenzene 158.56
    ethyl lactate 32.76
    propylene carbonate 115.62
    n-methylformamide 19.5
    2-pentanol 51.48
    n-pentane 54.36
    1-propoxy-2-propanol 118.96
    1-methoxy-2-propyl acetate 180.05
    2-(2-methoxypropoxy) propanol 116.41
    mesitylene 125.22
    ε-caprolactone 201.2
    p-cymene 155.59
    epichlorohydrin 241.04
    1,1,1-trichloroethane 214.94
    2-aminoethanol 6.96
    morpholine-4-carbaldehyde 136.86
    sulfolane 151.45
    2,2,4-trimethylpentane 29.61
    2-methyltetrahydrofuran 391.49
    n-hexyl acetate 190.73
    isooctane 28.39
    2-(2-butoxyethoxy)ethanol 128.41
    sec-butyl acetate 93.49
    tert-butyl acetate 128.59
    decalin 67.19
    glycerin 8.21
    diglyme 216.74
    acrylic acid 16.59
    isopropyl myristate 112.03
    n-butyric acid 57.78
    acetyl acetate 81.62
    di(2-ethylhexyl) phthalate 88.02
    ethyl propionate 90.99
    nitromethane 35.16
    1,2-diethoxyethane 224.87
    benzonitrile 120.13
    trioctyl phosphate 61.25
    1-bromopropane 209.21
    gamma-valerolactone 220.38
    n-decanol 69.83
    triethyl phosphate 79.48
    4-methyl-2-pentanol 45.9
    propionitrile 60.55
    vinylene carbonate 89.16
    1,1,2-trichlorotrifluoroethane 68.76
    DMS 112.06
    cumene 108.05
    2-octanol 58.25
    2-hexanone 122.29
    octyl acetate 123.86
    limonene 199.05
    1,2-dimethoxyethane 141.42
    ethyl orthosilicate 86.55
    tributyl phosphate 71.67
    diacetone alcohol 89.0
    N,N-dimethylaniline 125.64
    acrylonitrile 48.2
    aniline 123.31
    1,3-propanediol 17.52
    bromobenzene 267.45
    dibromomethane 263.74
    1,1,2,2-tetrachloroethane 233.81
    2-methyl-cyclohexyl acetate 172.87
    tetrabutyl urea 99.43
    diisobutyl methanol 90.41
    2-phenylethanol 142.02
    styrene 165.95
    dioctyl adipate 128.85
    dimethyl sulfate 40.77
    ethyl butyrate 177.41
    methyl lactate 23.9
    butyl lactate 67.07
    diethyl carbonate 99.53
    propanediol butyl ether 54.45
    triethyl orthoformate 129.08
    p-tert-butyltoluene 148.45
    methyl 4-tert-butylbenzoate 134.03
    morpholine 255.74
    tert-butylamine 54.19
    n-dodecanol 60.11
    dimethoxymethane 93.69
    ethylene carbonate 77.87
    cyrene 87.97
    2-ethoxyethyl acetate 156.08
    2-ethylhexyl acetate 236.31
    1,2,4-trichlorobenzene 185.35
    4-methylpyridine 280.67
    dibutyl ether 172.91
    2,6-dimethyl-4-heptanol 90.41
    DEF 117.29
    dimethyl isosorbide 240.34
    tetrachloroethylene 137.83
    eugenol 100.89
    triacetin 127.26
    span 80 111.94
    1,4-butanediol 8.87
    1,1-dichloroethane 170.35
    2-methyl-1-pentanol 59.39
    methyl formate 18.55
    2-methyl-1-butanol 57.91
    n-decane 49.39
    butyronitrile 85.06
    3,7-dimethyl-1-octanol 96.77
    1-chlorooctane 115.36
    1-chlorotetradecane 58.63
    n-nonane 49.99
    undecane 37.89
    tert-butylcyclohexane 59.09
    cyclooctane 71.17
    cyclopentanol 82.43
    tetrahydropyran 424.64
    tert-amyl methyl ether 110.69
    2,5,8-trioxanonane 175.81
    1-hexene 136.2
    2-isopropoxyethanol 46.65
    2,2,2-trifluoroethanol 6.21
    methyl butyrate 104.04

    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