Masticadienediol

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  • Identifiers

    CAS number
    6138-94-9

    Molecular formula
    C30H50O2

    SMILES
    C[C@@H](CC/C=C(/C)\CO)[C@@H]1CC[C@]2([C@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 91.46%
    Sandalwood 66.51%
    Amber 57.75%
    Dry 46.68%
    Cedar 44.4%
    Musk 40.96%
    Vetiver 40.51%
    Powdery 38.62%
    Balsamic 37.34%
    Sweet 33.38%

     

    Flavor
    Woody 78.95%
    Sweet 59.46%
    Balsam 47.1%
    Wood 41.3%
    Pine 41.16%
    Herbal 34.77%
    Camphor 31.99%
    Dry 30.98%
    Balsamic 30.62%
    Fresh 28.13%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.0

    pKa est.
    7.53 (neutral)

    Molecular weight
    442.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    206°C

    Flash point

    • 246.87 ˚C est.

  • Synonyms

    • Masticadienediol
    • 6138-94-9
    • (3S,5R,9R,10R,13S,14S,17S)-17-[(Z,2S)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
    • (3S,5R,9R,10R,13S,14S,17R)-17-[(Z,2S)-7-Hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
    • SCHEMBL18668126
    • DTXSID801216127
    • AKOS040752944
    • (20S,24Z)-13alpha,14beta,17alpha-Lanosta-7,24-diene-3beta,26-diol
    • Lanosta-7,24-diene-3,26-diol, (3beta,13alpha,14beta,7alpha,20S,24Z)-
    • (3I(2),13I+/-,14I(2),17I+/-,20S,24Z)-Lanosta-7,24-diene-3,26-diol
    • 6138-94-9

  • Applications

    Masticadienediol (CAS 6138-94-9) is used as a diol building block in industrial formulations, commonly evaluated as a polyol component for polyurethanes and polyesters where it may act as a crosslinking agent or a flexible segment; it can function as a plasticizer or flexibilizer for coatings, inks, and plastics to improve processability and performance; in coatings and adhesives, its reactive hydroxyl groups support resin curing and adhesion; it also serves as an intermediate in the synthesis of specialty chemicals, including fragrance-related compounds in some formulations; and it may act as a processing aid or co-solvent in cleaning formulations and other industrial blends, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.27
    methanol 2.8
    isopropanol 4.81
    water 0.02
    ethyl acetate 5.61
    n-propanol 8.19
    acetone 6.3
    n-butanol 9.13
    acetonitrile 1.14
    DMF 12.79
    toluene 7.93
    isobutanol 5.68
    1,4-dioxane 17.04
    methyl acetate 3.63
    THF 27.28
    2-butanone 6.94
    n-pentanol 6.05
    sec-butanol 3.03
    n-hexane 0.46
    ethylene glycol 0.44
    NMP 14.29
    cyclohexane 0.46
    DMSO 4.94
    n-butyl acetate 6.91
    n-octanol 5.41
    chloroform 16.65
    n-propyl acetate 4.7
    acetic acid 3.83
    dichloromethane 8.13
    cyclohexanone 12.8
    propylene glycol 1.11
    isopropyl acetate 7.24
    DMAc 17.94
    2-ethoxyethanol 11.13
    isopentanol 7.75
    n-heptane 0.59
    ethyl formate 2.22
    1,2-dichloroethane 5.15
    n-hexanol 7.6
    2-methoxyethanol 12.53
    isobutyl acetate 5.71
    tetrachloromethane 3.4
    n-pentyl acetate 11.78
    transcutol 41.91
    n-heptanol 9.54
    ethylbenzene 3.91
    MIBK 8.78
    2-propoxyethanol 27.89
    tert-butanol 4.29
    MTBE 5.19
    2-butoxyethanol 26.15
    propionic acid 3.1
    o-xylene 4.79
    formic acid 1.3
    diethyl ether 6.51
    m-xylene 6.72
    p-xylene 4.13
    chlorobenzene 7.0
    dimethyl carbonate 4.29
    n-octane 0.23
    formamide 1.83
    cyclopentanone 13.69
    2-pentanone 8.43
    anisole 10.76
    cyclopentyl methyl ether 10.78
    gamma-butyrolactone 10.54
    1-methoxy-2-propanol 16.66
    pyridine 13.2
    3-pentanone 6.26
    furfural 10.33
    n-dodecane 0.11
    diethylene glycol 9.69
    diisopropyl ether 2.77
    tert-amyl alcohol 3.15
    acetylacetone 10.28
    n-hexadecane 0.13
    acetophenone 9.06
    methyl propionate 6.33
    isopentyl acetate 9.93
    trichloroethylene 13.15
    n-nonanol 6.88
    cyclohexanol 4.36
    benzyl alcohol 7.93
    2-ethylhexanol 5.14
    isooctanol 8.41
    dipropyl ether 7.19
    1,2-dichlorobenzene 6.84
    ethyl lactate 3.84
    propylene carbonate 5.79
    n-methylformamide 3.62
    2-pentanol 4.15
    n-pentane 0.47
    1-propoxy-2-propanol 20.65
    1-methoxy-2-propyl acetate 17.59
    2-(2-methoxypropoxy) propanol 16.99
    mesitylene 3.83
    ε-caprolactone 11.61
    p-cymene 3.71
    epichlorohydrin 13.53
    1,1,1-trichloroethane 5.96
    2-aminoethanol 2.28
    morpholine-4-carbaldehyde 21.97
    sulfolane 12.17
    2,2,4-trimethylpentane 0.4
    2-methyltetrahydrofuran 8.78
    n-hexyl acetate 11.81
    isooctane 0.45
    2-(2-butoxyethoxy)ethanol 25.22
    sec-butyl acetate 4.57
    tert-butyl acetate 9.99
    decalin 0.53
    glycerin 2.47
    diglyme 39.14
    acrylic acid 2.52
    isopropyl myristate 3.98
    n-butyric acid 7.59
    acetyl acetate 4.92
    di(2-ethylhexyl) phthalate 7.06
    ethyl propionate 4.85
    nitromethane 4.79
    1,2-diethoxyethane 11.57
    benzonitrile 5.05
    trioctyl phosphate 4.57
    1-bromopropane 3.32
    gamma-valerolactone 26.33
    n-decanol 3.66
    triethyl phosphate 4.57
    4-methyl-2-pentanol 4.32
    propionitrile 2.73
    vinylene carbonate 6.47
    1,1,2-trichlorotrifluoroethane 11.07
    DMS 7.11
    cumene 3.12
    2-octanol 4.33
    2-hexanone 6.43
    octyl acetate 5.33
    limonene 3.67
    1,2-dimethoxyethane 17.15
    ethyl orthosilicate 5.69
    tributyl phosphate 3.78
    diacetone alcohol 11.33
    N,N-dimethylaniline 8.8
    acrylonitrile 2.87
    aniline 7.8
    1,3-propanediol 5.73
    bromobenzene 7.35
    dibromomethane 5.76
    1,1,2,2-tetrachloroethane 11.15
    2-methyl-cyclohexyl acetate 8.43
    tetrabutyl urea 5.89
    diisobutyl methanol 3.86
    2-phenylethanol 12.36
    styrene 4.05
    dioctyl adipate 7.11
    dimethyl sulfate 6.54
    ethyl butyrate 6.31
    methyl lactate 4.8
    butyl lactate 11.61
    diethyl carbonate 3.92
    propanediol butyl ether 14.33
    triethyl orthoformate 8.18
    p-tert-butyltoluene 4.0
    methyl 4-tert-butylbenzoate 18.82
    morpholine 19.29
    tert-butylamine 2.79
    n-dodecanol 1.87
    dimethoxymethane 18.55
    ethylene carbonate 5.48
    cyrene 13.99
    2-ethoxyethyl acetate 18.71
    2-ethylhexyl acetate 7.69
    1,2,4-trichlorobenzene 9.35
    4-methylpyridine 11.87
    dibutyl ether 3.58
    2,6-dimethyl-4-heptanol 3.86
    DEF 8.73
    dimethyl isosorbide 25.98
    tetrachloroethylene 8.53
    eugenol 19.65
    triacetin 12.78
    span 80 14.77
    1,4-butanediol 2.19
    1,1-dichloroethane 4.71
    2-methyl-1-pentanol 5.49
    methyl formate 2.29
    2-methyl-1-butanol 5.89
    n-decane 0.33
    butyronitrile 3.46
    3,7-dimethyl-1-octanol 5.06
    1-chlorooctane 1.84
    1-chlorotetradecane 0.43
    n-nonane 0.27
    undecane 0.17
    tert-butylcyclohexane 0.58
    cyclooctane 0.31
    cyclopentanol 4.01
    tetrahydropyran 10.96
    tert-amyl methyl ether 4.0
    2,5,8-trioxanonane 23.78
    1-hexene 1.59
    2-isopropoxyethanol 9.56
    2,2,2-trifluoroethanol 2.02
    methyl butyrate 5.29

    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