Palustradienal

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  • Identifiers

    CAS number
    13508-03-7

    Molecular formula
    C20H30O

    SMILES
    CC(C)C1=CC2=C(CC1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)C=O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 74.48%
    Dry 41.79%
    Amber 40.62%
    Spicy 37.31%
    Fatty 33.9%
    Green 33.73%
    Fresh 32.07%
    Sandalwood 31.93%
    Herbal 31.51%
    Cedar 30.53%

     

    Flavor
    Woody 67.9%
    Wood 47.88%
    Spice 41.47%
    Herbal 40.46%
    Spicy 36.13%
    Sweet 31.62%
    Dry 29.48%
    Camphor 28.45%
    Fresh 28.37%
    Herb 27.96%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    8.07 (weak base)

    Molecular weight
    286.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    400°C

    Flash point

    • 185.71 ˚C est.

  • Synonyms

    • palustradienal
    • CHEBI:81595
    • DTXSID501109208
    • 13508-03-7
    • C18220
    • Q27155483
    • (1R,4aS,10aR)-1,2,3,4,4a,5,6,9,10,10a-Decahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxaldehyde
    • (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,6,9,10,10a-octahydrophenanthrene-1-carbaldehyde
    • 13508-03-7

  • Applications

    Palustradienal, CAS 13508-03-7, is primarily used as an odorant component in perfumery and cosmetics, providing a fragrance ingredient for perfumes, personal care products, and related formulations. It is commonly regarded as an intermediate in the synthesis of other fragrance compounds. Additionally, Palustradienal may be used as a fragrance additive in household products such as cleaners and air fresheners. In coatings and inks, it can be incorporated to impart a light aroma to scented finishes and printed materials. In industrial manufacturing, it may serve as an ingredient or intermediate in aroma-formulation workflows, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 55.02
    methanol 33.47
    isopropanol 49.47
    water 0.06
    ethyl acetate 154.56
    n-propanol 78.22
    acetone 126.29
    n-butanol 91.75
    acetonitrile 39.23
    DMF 187.03
    toluene 505.33
    isobutanol 59.3
    1,4-dioxane 308.83
    methyl acetate 88.63
    THF 432.34
    2-butanone 137.07
    n-pentanol 31.27
    sec-butanol 30.01
    n-hexane 8.13
    ethylene glycol 3.32
    NMP 141.78
    cyclohexane 40.26
    DMSO 34.0
    n-butyl acetate 151.65
    n-octanol 18.23
    chloroform 463.24
    n-propyl acetate 82.14
    acetic acid 34.35
    dichloromethane 336.64
    cyclohexanone 316.59
    propylene glycol 5.55
    isopropyl acetate 158.93
    DMAc 162.86
    2-ethoxyethanol 47.91
    isopentanol 86.97
    n-heptane 7.44
    ethyl formate 48.32
    1,2-dichloroethane 260.84
    n-hexanol 74.04
    2-methoxyethanol 94.46
    isobutyl acetate 82.9
    tetrachloromethane 68.15
    n-pentyl acetate 96.59
    transcutol 346.63
    n-heptanol 36.06
    ethylbenzene 105.15
    MIBK 146.4
    2-propoxyethanol 154.88
    tert-butanol 58.97
    MTBE 98.78
    2-butoxyethanol 87.09
    propionic acid 35.42
    o-xylene 180.63
    formic acid 8.19
    diethyl ether 178.99
    m-xylene 255.64
    p-xylene 119.26
    chlorobenzene 256.83
    dimethyl carbonate 66.26
    n-octane 2.56
    formamide 16.14
    cyclopentanone 278.11
    2-pentanone 175.94
    anisole 166.52
    cyclopentyl methyl ether 227.92
    gamma-butyrolactone 195.72
    1-methoxy-2-propanol 96.55
    pyridine 351.71
    3-pentanone 147.76
    furfural 188.36
    n-dodecane 1.75
    diethylene glycol 55.15
    diisopropyl ether 62.37
    tert-amyl alcohol 32.68
    acetylacetone 185.75
    n-hexadecane 2.25
    acetophenone 134.96
    methyl propionate 125.64
    isopentyl acetate 169.86
    trichloroethylene 478.65
    n-nonanol 21.55
    cyclohexanol 92.87
    benzyl alcohol 87.91
    2-ethylhexanol 49.19
    isooctanol 35.96
    dipropyl ether 83.78
    1,2-dichlorobenzene 218.27
    ethyl lactate 33.3
    propylene carbonate 117.83
    n-methylformamide 48.68
    2-pentanol 47.29
    n-pentane 14.02
    1-propoxy-2-propanol 111.01
    1-methoxy-2-propyl acetate 213.07
    2-(2-methoxypropoxy) propanol 80.72
    mesitylene 128.83
    ε-caprolactone 217.72
    p-cymene 63.61
    epichlorohydrin 292.49
    1,1,1-trichloroethane 229.93
    2-aminoethanol 14.29
    morpholine-4-carbaldehyde 229.13
    sulfolane 138.08
    2,2,4-trimethylpentane 6.51
    2-methyltetrahydrofuran 205.51
    n-hexyl acetate 95.62
    isooctane 7.87
    2-(2-butoxyethoxy)ethanol 112.02
    sec-butyl acetate 85.14
    tert-butyl acetate 166.15
    decalin 14.96
    glycerin 11.63
    diglyme 248.55
    acrylic acid 29.86
    isopropyl myristate 42.01
    n-butyric acid 98.85
    acetyl acetate 107.51
    di(2-ethylhexyl) phthalate 48.33
    ethyl propionate 90.8
    nitromethane 62.35
    1,2-diethoxyethane 149.51
    benzonitrile 127.09
    trioctyl phosphate 28.52
    1-bromopropane 167.86
    gamma-valerolactone 371.8
    n-decanol 15.2
    triethyl phosphate 56.69
    4-methyl-2-pentanol 45.82
    propionitrile 90.09
    vinylene carbonate 126.14
    1,1,2-trichlorotrifluoroethane 116.6
    DMS 117.52
    cumene 63.49
    2-octanol 19.25
    2-hexanone 76.45
    octyl acetate 44.76
    limonene 68.79
    1,2-dimethoxyethane 152.68
    ethyl orthosilicate 59.81
    tributyl phosphate 35.42
    diacetone alcohol 112.16
    N,N-dimethylaniline 106.65
    acrylonitrile 89.28
    aniline 230.7
    1,3-propanediol 42.67
    bromobenzene 308.6
    dibromomethane 238.76
    1,1,2,2-tetrachloroethane 340.54
    2-methyl-cyclohexyl acetate 95.83
    tetrabutyl urea 47.65
    diisobutyl methanol 39.43
    2-phenylethanol 134.42
    styrene 127.23
    dioctyl adipate 63.31
    dimethyl sulfate 69.45
    ethyl butyrate 105.43
    methyl lactate 38.53
    butyl lactate 65.14
    diethyl carbonate 69.99
    propanediol butyl ether 45.02
    triethyl orthoformate 90.79
    p-tert-butyltoluene 64.59
    methyl 4-tert-butylbenzoate 124.95
    morpholine 301.58
    tert-butylamine 48.5
    n-dodecanol 11.22
    dimethoxymethane 216.06
    ethylene carbonate 112.87
    cyrene 79.67
    2-ethoxyethyl acetate 171.06
    2-ethylhexyl acetate 134.56
    1,2,4-trichlorobenzene 244.46
    4-methylpyridine 369.96
    dibutyl ether 39.38
    2,6-dimethyl-4-heptanol 39.43
    DEF 166.16
    dimethyl isosorbide 185.29
    tetrachloroethylene 222.98
    eugenol 106.0
    triacetin 108.39
    span 80 62.65
    1,4-butanediol 9.78
    1,1-dichloroethane 219.02
    2-methyl-1-pentanol 38.98
    methyl formate 33.54
    2-methyl-1-butanol 64.8
    n-decane 3.5
    butyronitrile 96.0
    3,7-dimethyl-1-octanol 31.9
    1-chlorooctane 20.71
    1-chlorotetradecane 7.75
    n-nonane 2.89
    undecane 2.37
    tert-butylcyclohexane 11.89
    cyclooctane 13.26
    cyclopentanol 57.95
    tetrahydropyran 343.11
    tert-amyl methyl ether 63.69
    2,5,8-trioxanonane 141.75
    1-hexene 31.76
    2-isopropoxyethanol 45.41
    2,2,2-trifluoroethanol 16.59
    methyl butyrate 99.5

    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