Adlupone

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  • Identifiers

    CAS number
    16595-43-0

    Molecular formula
    C31H46O4

    SMILES
    CCC(C)C(=O)C1=C(C(C(=O)C(C1=O)(CC=C(C)C)CC=C(C)C)(CC=C(C)C)CC=C(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 64.94%
    Herbal 61.36%
    Floral 47.09%
    Woody 43.64%
    Citrus 40.01%
    Rose 36.91%
    Sweet 36.49%
    Mint 36.46%
    Fresh 35.0%
    Spicy 32.86%

     

    Flavor
    Bitter 59.73%
    Herbal 30.88%
    Cedarleaf 20.4%
    Heather 20.06%
    Genet 19.92%
    Broom 19.85%
    Lovage 19.52%
    Oriental 19.32%
    Basil 19.25%
    Parsley 18.83%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.0

    pKa est.
    7.29 (neutral)

    Molecular weight
    482.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    513°C

    Melting point expt.

    • 45 °C

    Flash point

    • 181.43 ˚C est.

  • Synonyms

    • Adlupone
    • 16595-43-0
    • 5-hydroxy-4-(2-methylbutanoyl)-2,2,6,6-tetrakis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione
    • RefChem:109805
    • SCHEMBL31355460
    • CHEBI:191927
    • DTXSID201319139
    • 5-Hydroxy-4-(2-methylbutanoyl)-2,2,6,6-tetrakis(3-methylbut-2-en-1-yl)cyclohex-4-ene-1,3-dione
    • 16595-43-0

  • Applications

    Adlupone (CAS 16595-43-0) is used primarily as an intermediate in chemical synthesis and may function as a solvent or co-solvent in formulation work. In the polymer and plastics sector, it can act as a plasticizer or processing aid for resins. In perfumery and cosmetics/personal care, it can be considered a fragrance ingredient or stabilizing component for formulations. Specific uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 317.03
    methanol 194.76
    isopropanol 349.32
    water 0.26
    ethyl acetate 912.07
    n-propanol 389.57
    acetone 968.12
    n-butanol 363.85
    acetonitrile 372.74
    DMF 2201.02
    toluene 749.62
    isobutanol 395.07
    1,4-dioxane 1070.26
    methyl acetate 884.95
    THF 2443.97
    2-butanone 1021.44
    n-pentanol 348.91
    sec-butanol 462.4
    n-hexane 130.92
    ethylene glycol 61.3
    NMP 3616.6
    cyclohexane 143.09
    DMSO 1044.63
    n-butyl acetate 685.09
    n-octanol 235.5
    chloroform 2119.03
    n-propyl acetate 613.85
    acetic acid 707.16
    dichloromethane 1617.37
    cyclohexanone 1548.0
    propylene glycol 183.96
    isopropyl acetate 822.03
    DMAc 2740.01
    2-ethoxyethanol 523.31
    isopentanol 399.73
    n-heptane 62.43
    ethyl formate 455.05
    1,2-dichloroethane 1270.74
    n-hexanol 369.98
    2-methoxyethanol 686.4
    isobutyl acetate 512.31
    tetrachloromethane 419.65
    n-pentyl acetate 665.77
    transcutol 1373.31
    n-heptanol 261.19
    ethylbenzene 420.05
    MIBK 698.25
    2-propoxyethanol 781.89
    tert-butanol 450.99
    MTBE 637.48
    2-butoxyethanol 621.82
    propionic acid 607.45
    o-xylene 495.15
    formic acid 172.11
    diethyl ether 572.63
    m-xylene 533.57
    p-xylene 555.64
    chlorobenzene 971.16
    dimethyl carbonate 743.34
    n-octane 34.05
    formamide 323.74
    cyclopentanone 2126.38
    2-pentanone 942.43
    anisole 675.0
    cyclopentyl methyl ether 1339.47
    gamma-butyrolactone 2395.97
    1-methoxy-2-propanol 902.17
    pyridine 1314.39
    3-pentanone 867.05
    furfural 1490.0
    n-dodecane 20.51
    diethylene glycol 355.58
    diisopropyl ether 289.86
    tert-amyl alcohol 551.05
    acetylacetone 1240.33
    n-hexadecane 23.93
    acetophenone 786.19
    methyl propionate 1058.72
    isopentyl acetate 729.84
    trichloroethylene 2894.44
    n-nonanol 240.9
    cyclohexanol 565.74
    benzyl alcohol 482.93
    2-ethylhexanol 284.23
    isooctanol 241.49
    dipropyl ether 365.03
    1,2-dichlorobenzene 958.67
    ethyl lactate 396.54
    propylene carbonate 1515.12
    n-methylformamide 729.45
    2-pentanol 396.11
    n-pentane 107.34
    1-propoxy-2-propanol 654.95
    1-methoxy-2-propyl acetate 943.94
    2-(2-methoxypropoxy) propanol 568.32
    mesitylene 323.06
    ε-caprolactone 1655.37
    p-cymene 220.78
    epichlorohydrin 2467.98
    1,1,1-trichloroethane 1839.19
    2-aminoethanol 191.91
    morpholine-4-carbaldehyde 2304.15
    sulfolane 3088.55
    2,2,4-trimethylpentane 81.95
    2-methyltetrahydrofuran 1720.07
    n-hexyl acetate 762.49
    isooctane 54.22
    2-(2-butoxyethoxy)ethanol 680.67
    sec-butyl acetate 585.3
    tert-butyl acetate 875.64
    decalin 116.62
    glycerin 239.27
    diglyme 1128.67
    acrylic acid 550.93
    isopropyl myristate 272.8
    n-butyric acid 811.48
    acetyl acetate 727.84
    di(2-ethylhexyl) phthalate 317.84
    ethyl propionate 664.05
    nitromethane 1263.85
    1,2-diethoxyethane 609.21
    benzonitrile 561.28
    trioctyl phosphate 224.75
    1-bromopropane 798.12
    gamma-valerolactone 2581.07
    n-decanol 165.61
    triethyl phosphate 335.43
    4-methyl-2-pentanol 293.49
    propionitrile 427.72
    vinylene carbonate 1207.59
    1,1,2-trichlorotrifluoroethane 1548.39
    DMS 841.47
    cumene 291.38
    2-octanol 207.86
    2-hexanone 641.69
    octyl acetate 371.44
    limonene 324.79
    1,2-dimethoxyethane 835.09
    ethyl orthosilicate 321.8
    tributyl phosphate 285.63
    diacetone alcohol 867.34
    N,N-dimethylaniline 649.87
    acrylonitrile 514.15
    aniline 718.46
    1,3-propanediol 282.4
    bromobenzene 1046.54
    dibromomethane 1138.3
    1,1,2,2-tetrachloroethane 2386.56
    2-methyl-cyclohexyl acetate 555.69
    tetrabutyl urea 397.37
    diisobutyl methanol 168.19
    2-phenylethanol 495.0
    styrene 485.45
    dioctyl adipate 423.86
    dimethyl sulfate 1359.49
    ethyl butyrate 521.9
    methyl lactate 655.86
    butyl lactate 536.65
    diethyl carbonate 369.35
    propanediol butyl ether 487.59
    triethyl orthoformate 415.56
    p-tert-butyltoluene 230.64
    methyl 4-tert-butylbenzoate 778.65
    morpholine 1446.41
    tert-butylamine 303.88
    n-dodecanol 116.72
    dimethoxymethane 1098.65
    ethylene carbonate 1021.94
    cyrene 757.98
    2-ethoxyethyl acetate 874.35
    2-ethylhexyl acetate 629.48
    1,2,4-trichlorobenzene 1305.35
    4-methylpyridine 1529.72
    dibutyl ether 314.79
    2,6-dimethyl-4-heptanol 168.19
    DEF 1315.36
    dimethyl isosorbide 1295.45
    tetrachloroethylene 1316.76
    eugenol 629.9
    triacetin 789.27
    span 80 533.92
    1,4-butanediol 145.35
    1,1-dichloroethane 1428.73
    2-methyl-1-pentanol 399.89
    methyl formate 591.3
    2-methyl-1-butanol 443.86
    n-decane 39.69
    butyronitrile 438.49
    3,7-dimethyl-1-octanol 259.05
    1-chlorooctane 208.94
    1-chlorotetradecane 79.46
    n-nonane 36.98
    undecane 27.31
    tert-butylcyclohexane 101.11
    cyclooctane 63.04
    cyclopentanol 758.17
    tetrahydropyran 1158.38
    tert-amyl methyl ether 651.95
    2,5,8-trioxanonane 721.53
    1-hexene 361.46
    2-isopropoxyethanol 471.34
    2,2,2-trifluoroethanol 366.51
    methyl butyrate 804.28

    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