1-(4,8,8-Trimethyldecahydro-1,4-methanoazulen-9-ylidene)propan-2-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    3338-56-5

    Molecular formula
    C17H26O

    SMILES
    CC(=O)C=C1C2CCC3C2C(CCCC31C)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 93.52%
    Amber 61.59%
    Dry 52.34%
    Cedar 51.61%
    Musk 51.02%
    Powdery 50.97%
    Orris 49.84%
    Violet 45.68%
    Sandalwood 44.99%
    Floral 43.41%

     

    Flavor
    Woody 70.24%
    Sweet 58.45%
    Wood 36.74%
    Powdery 35.66%
    Dry 34.9%
    Violet 32.71%
    Orris 30.74%
    Balsam 30.2%
    Floral 30.01%
    Camphor 29.54%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    8.49 (weak base)

    Molecular weight
    246.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    334°C

    Flash point

    • 121.51 ˚C est.

  • Synonyms

    • WKEGLFLCLXHDRF-UHFFFAOYSA-N
    • DTXSID401118608
    • 1-(4,8,8-Trimethyldecahydro-1,4-methanoazulen-9-ylidene)propan-2-one
    • 2-Propanone, 1-(decahydro-4,8,8-trimethyl-1,4-methanoazulen-9-ylidene)-, [1S-(1I+/-,3aI(2),4I+/-,8aI(2))]-
    • 3338-56-5
    • 3338-56-5

  • Applications

    1-(4,8,8-Trimethyldecahydro-1,4-methanoazulen-9-ylidene)propan-2-one (CAS 3338-56-5) is typically used as a fragrance ingredient and fixative intermediate and serves as a building block in specialty organic synthesis; in industry it may find applications in perfumery and cosmetics/personal care formulations for aroma and stability, in household products as a fragrance component, in polymers/plastics and coatings/inks as a specialty additive or crosslinking precursor, and in industrial manufacturing as an intermediate for the synthesis of functional materials, with exact usage governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 767.98
    methanol 977.69
    isopropanol 796.24
    water 4.52
    ethyl acetate 1636.26
    n-propanol 1010.39
    acetone 2034.98
    n-butanol 856.09
    acetonitrile 1589.39
    DMF 2793.77
    toluene 2328.68
    isobutanol 776.76
    1,4-dioxane 2817.94
    methyl acetate 1442.27
    THF 4687.58
    2-butanone 1862.65
    n-pentanol 322.94
    sec-butanol 619.68
    n-hexane 94.68
    ethylene glycol 236.31
    NMP 1637.44
    cyclohexane 374.51
    DMSO 1221.26
    n-butyl acetate 680.47
    n-octanol 199.03
    chloroform 4518.6
    n-propyl acetate 553.96
    acetic acid 613.53
    dichloromethane 3158.34
    cyclohexanone 2572.17
    propylene glycol 281.38
    isopropyl acetate 1115.71
    DMAc 1486.73
    2-ethoxyethanol 545.15
    isopentanol 753.91
    n-heptane 48.59
    ethyl formate 826.39
    1,2-dichloroethane 2354.87
    n-hexanol 518.22
    2-methoxyethanol 1449.25
    isobutyl acetate 415.15
    tetrachloromethane 761.15
    n-pentyl acetate 511.57
    transcutol 1564.82
    n-heptanol 253.01
    ethylbenzene 576.28
    MIBK 934.16
    2-propoxyethanol 1055.84
    tert-butanol 750.15
    MTBE 1173.43
    2-butoxyethanol 560.36
    propionic acid 708.83
    o-xylene 875.7
    formic acid 304.85
    diethyl ether 1533.63
    m-xylene 1190.0
    p-xylene 641.1
    chlorobenzene 1844.31
    dimethyl carbonate 885.81
    n-octane 19.54
    formamide 553.92
    cyclopentanone 3227.56
    2-pentanone 1562.89
    anisole 1026.95
    cyclopentyl methyl ether 2156.69
    gamma-butyrolactone 2794.19
    1-methoxy-2-propanol 1170.13
    pyridine 2854.58
    3-pentanone 1337.08
    furfural 1903.61
    n-dodecane 12.74
    diethylene glycol 718.26
    diisopropyl ether 452.73
    tert-amyl alcohol 549.65
    acetylacetone 1590.59
    n-hexadecane 15.96
    acetophenone 722.51
    methyl propionate 1456.16
    isopentyl acetate 675.32
    trichloroethylene 4047.54
    n-nonanol 175.84
    cyclohexanol 1034.97
    benzyl alcohol 637.67
    2-ethylhexanol 268.37
    isooctanol 207.85
    dipropyl ether 384.15
    1,2-dichlorobenzene 1290.23
    ethyl lactate 272.49
    propylene carbonate 1281.52
    n-methylformamide 1505.01
    2-pentanol 539.44
    n-pentane 141.61
    1-propoxy-2-propanol 603.72
    1-methoxy-2-propyl acetate 932.37
    2-(2-methoxypropoxy) propanol 365.83
    mesitylene 630.81
    ε-caprolactone 1776.13
    p-cymene 225.95
    epichlorohydrin 3250.11
    1,1,1-trichloroethane 2226.9
    2-aminoethanol 454.81
    morpholine-4-carbaldehyde 1869.95
    sulfolane 1997.0
    2,2,4-trimethylpentane 64.2
    2-methyltetrahydrofuran 2669.21
    n-hexyl acetate 656.77
    isooctane 58.59
    2-(2-butoxyethoxy)ethanol 532.25
    sec-butyl acetate 458.16
    tert-butyl acetate 1003.59
    decalin 108.39
    glycerin 435.94
    diglyme 1238.75
    acrylic acid 659.67
    isopropyl myristate 185.33
    n-butyric acid 1035.27
    acetyl acetate 1019.17
    di(2-ethylhexyl) phthalate 196.52
    ethyl propionate 622.5
    nitromethane 1655.31
    1,2-diethoxyethane 605.9
    benzonitrile 1118.19
    trioctyl phosphate 139.2
    1-bromopropane 1509.5
    gamma-valerolactone 3117.11
    n-decanol 114.6
    triethyl phosphate 210.41
    4-methyl-2-pentanol 354.25
    propionitrile 1580.65
    vinylene carbonate 1307.88
    1,1,2-trichlorotrifluoroethane 1393.51
    DMS 796.31
    cumene 295.75
    2-octanol 161.24
    2-hexanone 528.93
    octyl acetate 230.48
    limonene 300.01
    1,2-dimethoxyethane 1132.62
    ethyl orthosilicate 206.1
    tributyl phosphate 172.46
    diacetone alcohol 760.43
    N,N-dimethylaniline 524.78
    acrylonitrile 1825.95
    aniline 1698.41
    1,3-propanediol 687.5
    bromobenzene 2040.63
    dibromomethane 2282.61
    1,1,2,2-tetrachloroethane 2878.15
    2-methyl-cyclohexyl acetate 345.5
    tetrabutyl urea 205.06
    diisobutyl methanol 178.66
    2-phenylethanol 646.98
    styrene 766.22
    dioctyl adipate 233.7
    dimethyl sulfate 1068.47
    ethyl butyrate 395.33
    methyl lactate 569.15
    butyl lactate 374.43
    diethyl carbonate 293.9
    propanediol butyl ether 423.77
    triethyl orthoformate 301.06
    p-tert-butyltoluene 238.01
    methyl 4-tert-butylbenzoate 495.04
    morpholine 3064.97
    tert-butylamine 509.21
    n-dodecanol 80.16
    dimethoxymethane 2127.51
    ethylene carbonate 1218.45
    cyrene 424.05
    2-ethoxyethyl acetate 818.0
    2-ethylhexyl acetate 521.95
    1,2,4-trichlorobenzene 1455.42
    4-methylpyridine 2710.29
    dibutyl ether 262.1
    2,6-dimethyl-4-heptanol 178.66
    DEF 1286.53
    dimethyl isosorbide 722.2
    tetrachloroethylene 1831.5
    eugenol 469.25
    triacetin 536.43
    span 80 324.22
    1,4-butanediol 192.95
    1,1-dichloroethane 2451.15
    2-methyl-1-pentanol 321.99
    methyl formate 1138.75
    2-methyl-1-butanol 708.27
    n-decane 26.38
    butyronitrile 1240.32
    3,7-dimethyl-1-octanol 217.48
    1-chlorooctane 169.43
    1-chlorotetradecane 52.22
    n-nonane 25.18
    undecane 17.34
    tert-butylcyclohexane 80.67
    cyclooctane 109.71
    cyclopentanol 1033.98
    tetrahydropyran 3292.5
    tert-amyl methyl ether 719.6
    2,5,8-trioxanonane 588.17
    1-hexene 316.23
    2-isopropoxyethanol 374.47
    2,2,2-trifluoroethanol 440.95
    methyl butyrate 698.3

    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