(-)-Aristolene

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  • Identifiers

    CAS number
    6831-16-9

    Molecular formula
    C15H24

    SMILES
    C[C@@H]1CCCC2=CC[C@@H]3[C@H]([C@@]12C)C3(C)C

    Retention indicies (RI)

    • DB5: 1485.0

  • Odor profile

    Fragrance
    Woody 88.3%
    Sweet 50.31%
    Dry 48.84%
    Amber 47.02%
    Spicy 42.11%
    Cedar 41.33%
    Sandalwood 40.92%
    Balsamic 37.43%
    Fresh 35.21%
    Herbal 34.36%

     

    Flavor
    Woody 68.05%
    Sweet 58.66%
    Wood 43.07%
    Pine 42.44%
    Camphor 41.85%
    Dry 39.96%
    Balsam 38.3%
    Herbal 35.17%
    Fir needle 33.78%
    Fresh 32.46%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    10.3 (weak base)

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    273°C

    Flash point

    • 96.23 ˚C est.

  • Synonyms

    • (-)-Aristolene
    • 6831-16-9
    • (-)-9-Aristolene
    • 9-Aristolene
    • Aristolone, deoxo-
    • 9-Aristolene, (-)-
    • A7J872AJV5
    • DTXSID801317462
    • AKOS015914132
    • (1aR,7R,7aR,7bS)-1a,2,4,5,6,7,7a,7b-Octahydro-1,1,7,7a-tetramethyl-1H-cyclopropa[a]naphthalene
    • 1H-Cyclopropa[a]naphthalene, 1a,2,4,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1aR,7R,7aR,7bS)-
    • 1H-Cyclopropa[a]naphthalene, 1a,2,4,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, [1aR-(1aalpha,7alpha,7aalpha,7balpha)]-

  • Applications

    (-)-Aristolene (CAS 6831-16-9) is a sesquiterpene hydrocarbon with a distinctive odor, primarily used as a fragrance ingredient in perfumery and cosmetics, where it serves as an odorant in fragrance formulations. It is also employed in household products to impart scent, and in fragrance chemistry it can be considered as a precursor or intermediate for other fragrance compounds. In research and development, aristolene is evaluated for tuning aroma characteristics in formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 84.29
    methanol 46.08
    isopropanol 99.28
    water 0.2
    ethyl acetate 197.78
    n-propanol 109.8
    acetone 227.46
    n-butanol 121.02
    acetonitrile 120.57
    DMF 207.44
    toluene 347.43
    isobutanol 98.5
    1,4-dioxane 426.03
    methyl acetate 163.94
    THF 815.93
    2-butanone 226.09
    n-pentanol 72.82
    sec-butanol 89.71
    n-hexane 56.54
    ethylene glycol 13.81
    NMP 222.18
    cyclohexane 130.68
    DMSO 100.72
    n-butyl acetate 265.3
    n-octanol 105.78
    chloroform 408.85
    n-propyl acetate 136.6
    acetic acid 50.35
    dichloromethane 341.05
    cyclohexanone 397.96
    propylene glycol 23.83
    isopropyl acetate 190.3
    DMAc 181.89
    2-ethoxyethanol 86.86
    isopentanol 109.48
    n-heptane 90.65
    ethyl formate 94.39
    1,2-dichloroethane 236.91
    n-hexanol 179.63
    2-methoxyethanol 128.78
    isobutyl acetate 145.47
    tetrachloromethane 122.46
    n-pentyl acetate 173.75
    transcutol 221.2
    n-heptanol 112.32
    ethylbenzene 162.07
    MIBK 198.38
    2-propoxyethanol 219.22
    tert-butanol 123.71
    MTBE 225.51
    2-butoxyethanol 146.23
    propionic acid 66.8
    o-xylene 203.71
    formic acid 9.54
    diethyl ether 245.7
    m-xylene 263.43
    p-xylene 204.36
    chlorobenzene 244.48
    dimethyl carbonate 92.34
    n-octane 39.17
    formamide 20.98
    cyclopentanone 489.53
    2-pentanone 230.8
    anisole 209.07
    cyclopentyl methyl ether 376.48
    gamma-butyrolactone 371.86
    1-methoxy-2-propanol 129.95
    pyridine 339.98
    3-pentanone 197.57
    furfural 228.57
    n-dodecane 29.03
    diethylene glycol 99.99
    diisopropyl ether 135.21
    tert-amyl alcohol 101.03
    acetylacetone 252.51
    n-hexadecane 34.67
    acetophenone 173.68
    methyl propionate 166.54
    isopentyl acetate 282.32
    trichloroethylene 366.15
    n-nonanol 102.81
    cyclohexanol 153.69
    benzyl alcohol 117.32
    2-ethylhexanol 141.88
    isooctanol 99.43
    dipropyl ether 239.92
    1,2-dichlorobenzene 221.16
    ethyl lactate 64.68
    propylene carbonate 188.03
    n-methylformamide 72.63
    2-pentanol 95.63
    n-pentane 68.19
    1-propoxy-2-propanol 187.01
    1-methoxy-2-propyl acetate 262.18
    2-(2-methoxypropoxy) propanol 132.73
    mesitylene 188.41
    ε-caprolactone 283.03
    p-cymene 157.17
    epichlorohydrin 367.56
    1,1,1-trichloroethane 278.26
    2-aminoethanol 32.66
    morpholine-4-carbaldehyde 255.06
    sulfolane 294.09
    2,2,4-trimethylpentane 36.04
    2-methyltetrahydrofuran 446.36
    n-hexyl acetate 226.26
    isooctane 43.52
    2-(2-butoxyethoxy)ethanol 159.62
    sec-butyl acetate 127.36
    tert-butyl acetate 215.21
    decalin 66.73
    glycerin 29.85
    diglyme 291.69
    acrylic acid 52.24
    isopropyl myristate 123.32
    n-butyric acid 120.9
    acetyl acetate 148.27
    di(2-ethylhexyl) phthalate 95.61
    ethyl propionate 143.15
    nitromethane 100.8
    1,2-diethoxyethane 189.47
    benzonitrile 181.8
    trioctyl phosphate 80.07
    1-bromopropane 224.51
    gamma-valerolactone 383.91
    n-decanol 79.76
    triethyl phosphate 101.82
    4-methyl-2-pentanol 82.49
    propionitrile 156.38
    vinylene carbonate 165.7
    1,1,2-trichlorotrifluoroethane 142.56
    DMS 175.36
    cumene 121.55
    2-octanol 84.32
    2-hexanone 158.62
    octyl acetate 132.61
    limonene 190.55
    1,2-dimethoxyethane 224.05
    ethyl orthosilicate 102.4
    tributyl phosphate 85.48
    diacetone alcohol 156.21
    N,N-dimethylaniline 149.04
    acrylonitrile 140.75
    aniline 176.09
    1,3-propanediol 62.37
    bromobenzene 309.72
    dibromomethane 274.34
    1,1,2,2-tetrachloroethane 265.34
    2-methyl-cyclohexyl acetate 186.01
    tetrabutyl urea 107.76
    diisobutyl methanol 108.1
    2-phenylethanol 190.78
    styrene 172.34
    dioctyl adipate 127.24
    dimethyl sulfate 107.24
    ethyl butyrate 199.38
    methyl lactate 63.69
    butyl lactate 107.96
    diethyl carbonate 129.06
    propanediol butyl ether 98.53
    triethyl orthoformate 152.33
    p-tert-butyltoluene 163.19
    methyl 4-tert-butylbenzoate 188.09
    morpholine 360.28
    tert-butylamine 107.16
    n-dodecanol 64.95
    dimethoxymethane 245.79
    ethylene carbonate 160.0
    cyrene 126.25
    2-ethoxyethyl acetate 195.14
    2-ethylhexyl acetate 239.35
    1,2,4-trichlorobenzene 229.9
    4-methylpyridine 339.79
    dibutyl ether 156.74
    2,6-dimethyl-4-heptanol 108.1
    DEF 192.96
    dimethyl isosorbide 274.18
    tetrachloroethylene 196.48
    eugenol 139.47
    triacetin 171.05
    span 80 122.23
    1,4-butanediol 29.7
    1,1-dichloroethane 241.8
    2-methyl-1-pentanol 74.54
    methyl formate 67.06
    2-methyl-1-butanol 97.93
    n-decane 49.21
    butyronitrile 173.8
    3,7-dimethyl-1-octanol 110.2
    1-chlorooctane 118.75
    1-chlorotetradecane 56.53
    n-nonane 47.94
    undecane 37.21
    tert-butylcyclohexane 60.89
    cyclooctane 72.87
    cyclopentanol 165.11
    tetrahydropyran 460.44
    tert-amyl methyl ether 159.64
    2,5,8-trioxanonane 198.74
    1-hexene 115.43
    2-isopropoxyethanol 89.01
    2,2,2-trifluoroethanol 29.56
    methyl butyrate 158.87

    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
Pinus canariensis (Greece) Pinus canariensis Sweet ex Sprengel, fam. Pinaceae 12.5%
Pinus brutia (Greece) Pinus brutia Tenore, fam. Pinaceae 0.1%
Pinus halepensis (Greece) Pinus halepensis Miller, fam. Pinaceae 0.4%
Pinus pinaster (Greece) needle 8000-26-8 Pinus pinaster Ait., fam. Pinaceae 0.7%