Procurcumadiol

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  • Identifiers

    CAS number
    129673-90-1

    Molecular formula
    C15H22O3

    SMILES
    CC1=CC(=O)C(=C(C)C)C[C@]2([C@H]1CC[C@]2(C)O)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 48.94%
    Mint 44.98%
    Woody 43.42%
    Herbal 37.24%
    Camphoreous 34.23%
    Spicy 32.54%
    Tobacco 27.26%
    Cooling 26.73%
    Phenolic 26.15%
    Caramellic 25.19%

     

    Flavor
    Minty 49.09%
    Bitter 35.27%
    Fresh 28.72%
    Spearmint 23.39%
    Herbal 23.32%
    Basil 21.92%
    Leaves 21.84%
    Mint 20.82%
    Cedarleaf 20.37%
    Ripe apricot 20.07%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    8.26 (weak base)

    Molecular weight
    250.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    562°C

    Flash point

    • 143.0 ˚C est.

  • Synonyms

    • PROCURCUMADIOL
    • 129673-90-1
    • DTXSID601317278
    • (3S,3aR,8aS)-3,3a-dihydroxy-3,8-dimethyl-5-propan-2-ylidene-1,2,4,8a-tetrahydroazulen-6-one
    • RefChem:1096623
    • DTXCID501747098
    • 6(1H)-Azulenone, 2,3,3a,7,8,8a-hexahydro-1,8a-dihydroxy-1,4-dimethyl-7-(1-methylethylidene)-, (1S,3aS,8aR)-
    • (3S,3aR,8aS)-3,3a-dihydroxy-3,8-dimethyl-5-(propan-2-ylidene)-1,2,3,3a,4,5,6,8a-octahydroazulen-6-one
    • (3S,3Ar,8As)-3,3A-Dihydroxy-3,8-Dimethyl-5-(Propan-2-Ylidene)-2,3,3A,4,5,8A-Hexahydroazulen-6(1H)-One
    • 5-Hydroxyprocurcumenol
    • orb1680021
    • CHEMBL2386512
    • SCHEMBL29623918
    • HY-N12592
    • MSK180338
    • AKOS040763737
    • EBC-617603
    • TS-10176
    • CS-0997678
    • (3S,3aR,8aS)-3,3a-dihydroxy-5-isopropylidene-3,8-dimethyl-1,2,4,8a-tetrahydroazulen-6-one
    • 129673-90-1

  • Applications

    Procurcumadiol (CAS 129673-90-1) is a diol with hydroxyl groups. In industrial practice, it is often considered an intermediate for the synthesis of curcuminoid-related compounds and can function as a polyol component in polyurethane and epoxy resin formulations to improve flexibility and strength. It may serve as a polar solvent or co-solvent in chemical formulations, including cosmetics and household products. Due to its humectant-like properties, it can be used as a humectant or conditioning agent in cosmetic formulations. Additionally, Procurcumadiol may be evaluated as a processing aid or plasticizer in polymer systems and coatings, and could be employed as an intermediate in pharmaceutical chemical synthesis, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 144.52
    methanol 295.91
    isopropanol 132.59
    water 7.16
    ethyl acetate 56.63
    n-propanol 116.88
    acetone 181.61
    n-butanol 98.08
    acetonitrile 65.45
    DMF 526.21
    toluene 84.3
    isobutanol 85.88
    1,4-dioxane 328.31
    methyl acetate 84.38
    THF 411.61
    2-butanone 132.88
    n-pentanol 79.24
    sec-butanol 87.66
    n-hexane 2.4
    ethylene glycol 55.21
    NMP 239.18
    cyclohexane 6.19
    DMSO 295.78
    n-butyl acetate 56.46
    n-octanol 53.58
    chloroform 253.25
    n-propyl acetate 53.46
    acetic acid 87.44
    dichloromethane 186.01
    cyclohexanone 175.4
    propylene glycol 66.76
    isopropyl acetate 47.63
    DMAc 306.94
    2-ethoxyethanol 143.27
    isopentanol 78.53
    n-heptane 3.07
    ethyl formate 81.52
    1,2-dichloroethane 88.57
    n-hexanol 80.85
    2-methoxyethanol 268.98
    isobutyl acetate 44.78
    tetrachloromethane 36.31
    n-pentyl acetate 54.46
    transcutol 141.25
    n-heptanol 62.12
    ethylbenzene 49.71
    MIBK 62.8
    2-propoxyethanol 177.95
    tert-butanol 123.74
    MTBE 53.79
    2-butoxyethanol 106.94
    propionic acid 64.36
    o-xylene 54.83
    formic acid 77.55
    diethyl ether 49.62
    m-xylene 52.98
    p-xylene 73.36
    chlorobenzene 77.12
    dimethyl carbonate 56.54
    n-octane 2.66
    formamide 146.18
    cyclopentanone 241.89
    2-pentanone 87.54
    anisole 100.72
    cyclopentyl methyl ether 87.95
    gamma-butyrolactone 206.61
    1-methoxy-2-propanol 192.53
    pyridine 203.89
    3-pentanone 58.96
    furfural 214.78
    n-dodecane 2.9
    diethylene glycol 156.34
    diisopropyl ether 14.77
    tert-amyl alcohol 77.15
    acetylacetone 120.54
    n-hexadecane 3.38
    acetophenone 101.44
    methyl propionate 62.72
    isopentyl acetate 57.47
    trichloroethylene 182.59
    n-nonanol 49.42
    cyclohexanol 79.31
    benzyl alcohol 118.99
    2-ethylhexanol 44.5
    isooctanol 47.37
    dipropyl ether 30.65
    1,2-dichlorobenzene 67.75
    ethyl lactate 47.35
    propylene carbonate 107.0
    n-methylformamide 191.59
    2-pentanol 51.11
    n-pentane 2.61
    1-propoxy-2-propanol 100.37
    1-methoxy-2-propyl acetate 75.27
    2-(2-methoxypropoxy) propanol 75.92
    mesitylene 29.11
    ε-caprolactone 128.02
    p-cymene 29.87
    epichlorohydrin 207.47
    1,1,1-trichloroethane 81.68
    2-aminoethanol 100.59
    morpholine-4-carbaldehyde 328.57
    sulfolane 217.74
    2,2,4-trimethylpentane 2.73
    2-methyltetrahydrofuran 142.42
    n-hexyl acetate 68.19
    isooctane 2.34
    2-(2-butoxyethoxy)ethanol 99.01
    sec-butyl acetate 39.15
    tert-butyl acetate 54.5
    decalin 5.66
    glycerin 104.45
    diglyme 164.16
    acrylic acid 64.98
    isopropyl myristate 31.58
    n-butyric acid 81.07
    acetyl acetate 54.23
    di(2-ethylhexyl) phthalate 44.94
    ethyl propionate 43.0
    nitromethane 168.34
    1,2-diethoxyethane 59.9
    benzonitrile 108.7
    trioctyl phosphate 32.47
    1-bromopropane 43.36
    gamma-valerolactone 328.01
    n-decanol 37.17
    triethyl phosphate 31.7
    4-methyl-2-pentanol 37.75
    propionitrile 61.3
    vinylene carbonate 120.0
    1,1,2-trichlorotrifluoroethane 151.56
    DMS 56.43
    cumene 35.46
    2-octanol 43.63
    2-hexanone 72.58
    octyl acetate 42.85
    limonene 32.18
    1,2-dimethoxyethane 254.77
    ethyl orthosilicate 31.5
    tributyl phosphate 30.87
    diacetone alcohol 91.77
    N,N-dimethylaniline 83.4
    acrylonitrile 87.41
    aniline 95.93
    1,3-propanediol 139.09
    bromobenzene 71.28
    dibromomethane 97.89
    1,1,2,2-tetrachloroethane 152.42
    2-methyl-cyclohexyl acetate 53.5
    tetrabutyl urea 50.98
    diisobutyl methanol 28.36
    2-phenylethanol 103.71
    styrene 52.14
    dioctyl adipate 46.12
    dimethyl sulfate 90.79
    ethyl butyrate 46.06
    methyl lactate 63.02
    butyl lactate 52.94
    diethyl carbonate 34.22
    propanediol butyl ether 90.17
    triethyl orthoformate 39.71
    p-tert-butyltoluene 28.03
    methyl 4-tert-butylbenzoate 79.31
    morpholine 310.55
    tert-butylamine 57.13
    n-dodecanol 27.64
    dimethoxymethane 246.95
    ethylene carbonate 91.4
    cyrene 127.41
    2-ethoxyethyl acetate 66.28
    2-ethylhexyl acetate 45.64
    1,2,4-trichlorobenzene 82.06
    4-methylpyridine 184.48
    dibutyl ether 30.27
    2,6-dimethyl-4-heptanol 28.36
    DEF 106.12
    dimethyl isosorbide 133.18
    tetrachloroethylene 97.58
    eugenol 91.45
    triacetin 64.51
    span 80 73.27
    1,4-butanediol 64.97
    1,1-dichloroethane 90.17
    2-methyl-1-pentanol 65.41
    methyl formate 153.41
    2-methyl-1-butanol 69.3
    n-decane 4.91
    butyronitrile 73.02
    3,7-dimethyl-1-octanol 42.31
    1-chlorooctane 22.3
    1-chlorotetradecane 9.36
    n-nonane 3.89
    undecane 3.65
    tert-butylcyclohexane 5.02
    cyclooctane 2.46
    cyclopentanol 101.71
    tetrahydropyran 157.29
    tert-amyl methyl ether 38.69
    2,5,8-trioxanonane 125.44
    1-hexene 14.12
    2-isopropoxyethanol 94.48
    2,2,2-trifluoroethanol 52.56
    methyl butyrate 68.46

    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