Labda-8(17),12-Diene-15,16-Dial

Overview IFRA Request a quote

  • Identifiers

    CAS number
    104263-85-6

    Molecular formula
    C20H30O2

    SMILES
    C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2C/C=C(\CC=O)/C=O)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 63.57%
    Green 38.32%
    Fatty 35.09%
    Amber 33.0%
    Dry 32.34%
    Sweet 31.38%
    Aldehydic 30.25%
    Oily 29.86%
    Orris 28.81%
    Violet 28.78%

     

    Flavor
    Woody 48.98%
    Sweet 48.22%
    Floral 45.22%
    Spicy 37.54%
    Herbal 35.5%
    Spice 34.34%
    Fruity 31.59%
    Fresh 30.91%
    Violet 30.31%
    Orange 24.08%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    7.26 (neutral)

    Molecular weight
    302.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    406°C

    Flash point

    • 179.68 ˚C est.

  • Synonyms

    • DTXSID201304207
    • labda-8(17),12-diene-15,16-dial
    • 104263-85-6
    • RefChem:1088312
    • DTXCID501734229
    • (2E)-2-(2-((1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)ethylidene)butanedial
    • CHEMBL112830
    • SCHEMBL16260939
    • (2E)-2-{2-[(1S,4aS,8aS)-5,5,8a-Trimethyl-2-methylidenedecahydronaphthalen-1-yl]ethylidene}butanedial
    • 104263-85-6

  • Applications

    Labda-8(17),12-Diene-15,16-Dial (CAS 104263-85-6) is primarily evaluated as a fragrance ingredient and a fragrance intermediate, functioning as a building block for the synthesis of other aroma compounds; in cosmetics and personal care it may be used as a fragrance component; in flavor applications it is being evaluated as an aroma ingredient in food formulations at limited usage levels; in industrial manufacturing it can serve as an intermediate for the synthesis of other labdane-type diterpenes; and in household products or coatings it may be used as a scent additive to enhance odor profiles.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 217.72
    methanol 151.7
    isopropanol 184.4
    water 0.07
    ethyl acetate 326.23
    n-propanol 242.34
    acetone 298.13
    n-butanol 189.44
    acetonitrile 139.26
    DMF 443.77
    toluene 452.24
    isobutanol 141.7
    1,4-dioxane 529.25
    methyl acetate 196.33
    THF 1258.93
    2-butanone 293.37
    n-pentanol 84.77
    sec-butanol 113.02
    n-hexane 4.07
    ethylene glycol 8.34
    NMP 256.48
    cyclohexane 17.51
    DMSO 167.24
    n-butyl acetate 195.25
    n-octanol 23.54
    chloroform 734.78
    n-propyl acetate 142.33
    acetic acid 94.36
    dichloromethane 616.73
    cyclohexanone 401.5
    propylene glycol 24.31
    isopropyl acetate 245.65
    DMAc 310.97
    2-ethoxyethanol 168.5
    isopentanol 135.87
    n-heptane 3.57
    ethyl formate 114.9
    1,2-dichloroethane 385.46
    n-hexanol 112.68
    2-methoxyethanol 300.42
    isobutyl acetate 107.05
    tetrachloromethane 67.74
    n-pentyl acetate 96.89
    transcutol 928.55
    n-heptanol 38.94
    ethylbenzene 88.83
    MIBK 186.26
    2-propoxyethanol 303.49
    tert-butanol 165.89
    MTBE 170.65
    2-butoxyethanol 127.07
    propionic acid 80.44
    o-xylene 139.95
    formic acid 28.03
    diethyl ether 266.73
    m-xylene 223.69
    p-xylene 95.78
    chlorobenzene 282.2
    dimethyl carbonate 111.39
    n-octane 1.19
    formamide 63.85
    cyclopentanone 514.85
    2-pentanone 295.77
    anisole 229.82
    cyclopentyl methyl ether 398.49
    gamma-butyrolactone 449.64
    1-methoxy-2-propanol 319.72
    pyridine 516.59
    3-pentanone 193.58
    furfural 371.16
    n-dodecane 0.84
    diethylene glycol 136.76
    diisopropyl ether 59.44
    tert-amyl alcohol 90.86
    acetylacetone 317.79
    n-hexadecane 1.06
    acetophenone 166.6
    methyl propionate 237.22
    isopentyl acetate 189.15
    trichloroethylene 720.15
    n-nonanol 25.72
    cyclohexanol 143.78
    benzyl alcohol 143.17
    2-ethylhexanol 55.81
    isooctanol 35.45
    dipropyl ether 98.34
    1,2-dichlorobenzene 216.89
    ethyl lactate 66.77
    propylene carbonate 216.13
    n-methylformamide 165.1
    2-pentanol 101.92
    n-pentane 7.29
    1-propoxy-2-propanol 221.38
    1-methoxy-2-propyl acetate 329.69
    2-(2-methoxypropoxy) propanol 135.51
    mesitylene 92.54
    ε-caprolactone 317.36
    p-cymene 46.68
    epichlorohydrin 704.6
    1,1,1-trichloroethane 299.64
    2-aminoethanol 49.6
    morpholine-4-carbaldehyde 395.34
    sulfolane 325.61
    2,2,4-trimethylpentane 3.94
    2-methyltetrahydrofuran 487.5
    n-hexyl acetate 100.84
    isooctane 4.94
    2-(2-butoxyethoxy)ethanol 206.77
    sec-butyl acetate 125.11
    tert-butyl acetate 236.77
    decalin 7.28
    glycerin 36.45
    diglyme 426.49
    acrylic acid 61.52
    isopropyl myristate 37.77
    n-butyric acid 186.97
    acetyl acetate 167.33
    di(2-ethylhexyl) phthalate 51.62
    ethyl propionate 136.55
    nitromethane 212.37
    1,2-diethoxyethane 263.98
    benzonitrile 195.19
    trioctyl phosphate 29.19
    1-bromopropane 219.81
    gamma-valerolactone 605.81
    n-decanol 17.63
    triethyl phosphate 61.19
    4-methyl-2-pentanol 61.3
    propionitrile 177.06
    vinylene carbonate 202.33
    1,1,2-trichlorotrifluoroethane 249.18
    DMS 130.85
    cumene 50.71
    2-octanol 19.32
    2-hexanone 123.51
    octyl acetate 46.86
    limonene 53.8
    1,2-dimethoxyethane 326.63
    ethyl orthosilicate 61.98
    tributyl phosphate 39.26
    diacetone alcohol 214.84
    N,N-dimethylaniline 124.35
    acrylonitrile 192.37
    aniline 321.61
    1,3-propanediol 117.41
    bromobenzene 308.29
    dibromomethane 351.7
    1,1,2,2-tetrachloroethane 523.82
    2-methyl-cyclohexyl acetate 106.06
    tetrabutyl urea 49.87
    diisobutyl methanol 37.58
    2-phenylethanol 157.15
    styrene 118.94
    dioctyl adipate 68.79
    dimethyl sulfate 138.54
    ethyl butyrate 141.74
    methyl lactate 94.37
    butyl lactate 82.06
    diethyl carbonate 87.85
    propanediol butyl ether 94.09
    triethyl orthoformate 105.66
    p-tert-butyltoluene 46.23
    methyl 4-tert-butylbenzoate 129.43
    morpholine 726.5
    tert-butylamine 88.02
    n-dodecanol 12.06
    dimethoxymethane 465.02
    ethylene carbonate 182.5
    cyrene 129.38
    2-ethoxyethyl acetate 213.11
    2-ethylhexyl acetate 134.14
    1,2,4-trichlorobenzene 252.67
    4-methylpyridine 531.88
    dibutyl ether 45.0
    2,6-dimethyl-4-heptanol 37.58
    DEF 244.94
    dimethyl isosorbide 293.5
    tetrachloroethylene 265.94
    eugenol 123.78
    triacetin 137.72
    span 80 94.76
    1,4-butanediol 29.67
    1,1-dichloroethane 364.43
    2-methyl-1-pentanol 73.58
    methyl formate 110.24
    2-methyl-1-butanol 114.47
    n-decane 1.85
    butyronitrile 193.84
    3,7-dimethyl-1-octanol 39.93
    1-chlorooctane 17.81
    1-chlorotetradecane 5.05
    n-nonane 1.53
    undecane 1.19
    tert-butylcyclohexane 6.38
    cyclooctane 4.83
    cyclopentanol 151.66
    tetrahydropyran 626.87
    tert-amyl methyl ether 99.45
    2,5,8-trioxanonane 246.26
    1-hexene 29.72
    2-isopropoxyethanol 116.76
    2,2,2-trifluoroethanol 37.31
    methyl butyrate 159.96

    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