3-[(3S,3aS,5aS,6S,9aS,9bR)-3-[(1S)-1,5-Dimethyl-4-hexen-1-yl]dodecahydro-3a,5a,9b-trimethyl-7-(1-methylethylidene)-1H-benz[e]inden-6-yl]propyl octanoate

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  • Identifiers

    CAS number
    290305-83-8

    Molecular formula
    C38H66O2

    SMILES
    CCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C)CC[C@H]2[C@]1(CC[C@@]3([C@@]2(CC[C@H]3[C@@H](C)CCC=C(C)C)C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 78.67%
    Waxy 52.25%
    Sandalwood 48.2%
    Floral 46.0%
    Amber 42.02%
    Balsamic 41.27%
    Powdery 36.47%
    Oily 35.28%
    Dry 35.15%
    Sweet 34.59%

     

    Flavor
    Woody 50.19%
    Balsam 35.0%
    Waxy 31.03%
    Wood 30.67%
    Mild 29.71%
    Sweet 26.47%
    Balsamic 25.14%
    Floral 22.84%
    Warm 22.61%
    Sandalwood 22.31%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    13.3

    pKa est.
    7.46 (neutral)

    Molecular weight
    554.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    549°C

    Flash point

    • 229.63 ˚C est.

  • Synonyms

    • DTXSID101100161
    • 290305-83-8
    • 3-[(3S,3aS,5aS,6S,9aS,9bR)-3-[(1S)-1,5-Dimethyl-4-hexen-1-yl]dodecahydro-3a,5a,9b-trimethyl-7-(1-methylethylidene)-1H-benz[e]inden-6-yl]propyl octanoate
    • 290305-83-8

  • Applications

    3-[(3S,3aS,5aS,6S,9aS,9bR)-3-[(1S)-1,5-Dimethyl-4-hexen-1-yl]dodecahydro-3a,5a,9b-trimethyl-7-(1-methylethylidene)-1H-benz[e]inden-6-yl]propyl octanoate (CAS 290305-83-8) is commonly used as a fragrance ingredient and fixative in perfumery; it may also find applications in cosmetics/personal care as a scent component in products such as perfumes, body care formulations, and cleansers; in household products it can contribute odor profiles in detergents, cleaners, and air fresheners; in coatings, inks, and polymer formulations it can serve as a fragrance additive or odor-modifying agent; and in industrial manufacturing it may be evaluated as an odor-related additive, with actual use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.7
    methanol 7.37
    isopropanol 16.59
    water 0.04
    ethyl acetate 35.37
    n-propanol 28.98
    acetone 30.9
    n-butanol 30.7
    acetonitrile 9.2
    DMF 45.05
    toluene 55.13
    isobutanol 25.4
    1,4-dioxane 59.74
    methyl acetate 24.98
    THF 108.0
    2-butanone 46.22
    n-pentanol 26.61
    sec-butanol 21.26
    n-hexane 4.38
    ethylene glycol 1.17
    NMP 93.18
    cyclohexane 6.36
    DMSO 19.32
    n-butyl acetate 44.32
    n-octanol 17.34
    chloroform 136.45
    n-propyl acetate 33.03
    acetic acid 18.29
    dichloromethane 91.12
    cyclohexanone 90.63
    propylene glycol 3.74
    isopropyl acetate 38.45
    DMAc 94.2
    2-ethoxyethanol 32.12
    isopentanol 28.8
    n-heptane 3.67
    ethyl formate 14.25
    1,2-dichloroethane 51.39
    n-hexanol 29.21
    2-methoxyethanol 28.7
    isobutyl acetate 34.32
    tetrachloromethane 28.25
    n-pentyl acetate 59.9
    transcutol 104.08
    n-heptanol 25.79
    ethylbenzene 26.33
    MIBK 39.88
    2-propoxyethanol 68.17
    tert-butanol 15.57
    MTBE 28.19
    2-butoxyethanol 60.5
    propionic acid 19.38
    o-xylene 31.12
    formic acid 4.41
    diethyl ether 39.19
    m-xylene 36.0
    p-xylene 28.05
    chlorobenzene 56.86
    dimethyl carbonate 21.71
    n-octane 1.4
    formamide 6.17
    cyclopentanone 90.18
    2-pentanone 47.26
    anisole 45.3
    cyclopentyl methyl ether 70.7
    gamma-butyrolactone 78.24
    1-methoxy-2-propanol 40.45
    pyridine 69.19
    3-pentanone 46.19
    furfural 58.27
    n-dodecane 0.73
    diethylene glycol 21.16
    diisopropyl ether 14.79
    tert-amyl alcohol 19.2
    acetylacetone 50.8
    n-hexadecane 0.89
    acetophenone 47.45
    methyl propionate 37.99
    isopentyl acetate 52.81
    trichloroethylene 112.27
    n-nonanol 20.08
    cyclohexanol 30.88
    benzyl alcohol 32.99
    2-ethylhexanol 22.8
    isooctanol 23.25
    dipropyl ether 32.09
    1,2-dichlorobenzene 60.63
    ethyl lactate 19.95
    propylene carbonate 44.18
    n-methylformamide 16.36
    2-pentanol 21.2
    n-pentane 4.34
    1-propoxy-2-propanol 55.24
    1-methoxy-2-propyl acetate 70.29
    2-(2-methoxypropoxy) propanol 47.06
    mesitylene 19.51
    ε-caprolactone 89.2
    p-cymene 17.9
    epichlorohydrin 88.72
    1,1,1-trichloroethane 64.8
    2-aminoethanol 6.16
    morpholine-4-carbaldehyde 87.06
    sulfolane 83.25
    2,2,4-trimethylpentane 3.32
    2-methyltetrahydrofuran 70.66
    n-hexyl acetate 56.0
    isooctane 2.19
    2-(2-butoxyethoxy)ethanol 57.22
    sec-butyl acetate 31.13
    tert-butyl acetate 45.93
    decalin 4.69
    glycerin 6.45
    diglyme 108.39
    acrylic acid 15.91
    isopropyl myristate 19.68
    n-butyric acid 38.36
    acetyl acetate 30.44
    di(2-ethylhexyl) phthalate 28.23
    ethyl propionate 32.75
    nitromethane 27.22
    1,2-diethoxyethane 47.46
    benzonitrile 29.38
    trioctyl phosphate 18.96
    1-bromopropane 40.23
    gamma-valerolactone 130.69
    n-decanol 11.85
    triethyl phosphate 24.82
    4-methyl-2-pentanol 16.4
    propionitrile 19.5
    vinylene carbonate 45.89
    1,1,2-trichlorotrifluoroethane 58.0
    DMS 40.26
    cumene 17.8
    2-octanol 15.52
    2-hexanone 40.21
    octyl acetate 25.17
    limonene 21.67
    1,2-dimethoxyethane 56.17
    ethyl orthosilicate 28.25
    tributyl phosphate 20.27
    diacetone alcohol 40.14
    N,N-dimethylaniline 33.99
    acrylonitrile 17.83
    aniline 40.51
    1,3-propanediol 14.11
    bromobenzene 67.35
    dibromomethane 62.9
    1,1,2,2-tetrachloroethane 96.0
    2-methyl-cyclohexyl acetate 44.07
    tetrabutyl urea 29.94
    diisobutyl methanol 13.6
    2-phenylethanol 43.45
    styrene 27.5
    dioctyl adipate 33.35
    dimethyl sulfate 37.28
    ethyl butyrate 37.85
    methyl lactate 19.55
    butyl lactate 44.65
    diethyl carbonate 23.42
    propanediol butyl ether 34.48
    triethyl orthoformate 39.42
    p-tert-butyltoluene 16.53
    methyl 4-tert-butylbenzoate 66.04
    morpholine 72.07
    tert-butylamine 12.01
    n-dodecanol 7.22
    dimethoxymethane 50.94
    ethylene carbonate 41.23
    cyrene 50.89
    2-ethoxyethyl acetate 80.35
    2-ethylhexyl acetate 47.22
    1,2,4-trichlorobenzene 78.29
    4-methylpyridine 68.71
    dibutyl ether 19.76
    2,6-dimethyl-4-heptanol 13.6
    DEF 53.97
    dimethyl isosorbide 83.01
    tetrachloroethylene 66.37
    eugenol 59.75
    triacetin 63.95
    span 80 43.94
    1,4-butanediol 7.16
    1,1-dichloroethane 49.96
    2-methyl-1-pentanol 26.36
    methyl formate 10.71
    2-methyl-1-butanol 31.18
    n-decane 1.99
    butyronitrile 21.94
    3,7-dimethyl-1-octanol 17.0
    1-chlorooctane 11.71
    1-chlorotetradecane 3.15
    n-nonane 1.66
    undecane 1.1
    tert-butylcyclohexane 3.78
    cyclooctane 3.07
    cyclopentanol 26.78
    tetrahydropyran 74.18
    tert-amyl methyl ether 28.7
    2,5,8-trioxanonane 59.83
    1-hexene 15.09
    2-isopropoxyethanol 31.87
    2,2,2-trifluoroethanol 11.65
    methyl butyrate 38.11

    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