Masticadienonic acid

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  • Identifiers

    CAS number
    514-49-8

    Molecular formula
    C30H46O3

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 87.57%
    Amber 55.83%
    Sandalwood 50.26%
    Dry 48.03%
    Cedar 45.92%
    Musk 40.3%
    Vetiver 39.47%
    Powdery 37.24%
    Balsamic 34.24%
    Orris 32.31%

     

    Flavor
    Woody 67.52%
    Herbal 31.13%
    Balsam 29.72%
    Wood 28.73%
    Camphor 28.48%
    Pine 24.78%
    Sandalwood 21.71%
    Spicy 21.3%
    Fir needle 21.09%
    Spice 21.08%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.6

    pKa est.
    6.5 (neutral)

    Molecular weight
    454.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    526°C

    Flash point

    • 262.33 ˚C est.

  • Synonyms

    • Masticadienonic acid
    • DTXSID101315065
    • 514-49-8
    • RefChem:925354
    • DTXCID301744979
    • (Z,6S)-2-methyl-6-[(5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-2-enoic acid
    • SCHEMBL21162705
    • (20S,24Z)-3-Oxo-13alpha,14beta,17alpha-lanosta-7,24-dien-26-oic acid
    • 514-49-8

  • Applications

    Masticadienonic acid (CAS 514-49-8) is a triterpenoid acid derived from mastic resin. In industry it is primarily used as a synthetic intermediate for the preparation of other triterpenoid derivatives for pharmaceutical and cosmetic R&D; it may also be evaluated as a fragrance component or aroma ingredient in perfumery and personal-care formulations. The compound can serve as a building block for bio-based polymers or resins and might be considered for use in coatings or inks as a natural-resin modifier, depending on formulation and regulatory considerations. Its applications are typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.81
    methanol 8.18
    isopropanol 14.73
    water 0.01
    ethyl acetate 5.74
    n-propanol 22.55
    acetone 7.34
    n-butanol 18.51
    acetonitrile 2.02
    DMF 37.78
    toluene 10.06
    isobutanol 12.93
    1,4-dioxane 24.73
    methyl acetate 4.96
    THF 41.28
    2-butanone 11.42
    n-pentanol 11.9
    sec-butanol 9.17
    n-hexane 0.46
    ethylene glycol 0.96
    NMP 22.27
    cyclohexane 0.5
    DMSO 7.99
    n-butyl acetate 6.53
    n-octanol 3.84
    chloroform 24.61
    n-propyl acetate 4.73
    acetic acid 5.45
    dichloromethane 12.06
    cyclohexanone 17.26
    propylene glycol 2.98
    isopropyl acetate 6.55
    DMAc 31.24
    2-ethoxyethanol 18.33
    isopentanol 11.78
    n-heptane 0.32
    ethyl formate 2.89
    1,2-dichloroethane 6.94
    n-hexanol 12.84
    2-methoxyethanol 24.91
    isobutyl acetate 5.08
    tetrachloromethane 3.67
    n-pentyl acetate 9.37
    transcutol 32.74
    n-heptanol 8.09
    ethylbenzene 4.33
    MIBK 8.18
    2-propoxyethanol 47.78
    tert-butanol 9.1
    MTBE 7.4
    2-butoxyethanol 25.25
    propionic acid 5.5
    o-xylene 5.2
    formic acid 2.05
    diethyl ether 9.55
    m-xylene 6.5
    p-xylene 4.57
    chlorobenzene 7.44
    dimethyl carbonate 5.08
    n-octane 0.14
    formamide 3.12
    cyclopentanone 19.35
    2-pentanone 10.07
    anisole 9.97
    cyclopentyl methyl ether 13.25
    gamma-butyrolactone 14.43
    1-methoxy-2-propanol 31.53
    pyridine 20.26
    3-pentanone 8.08
    furfural 12.64
    n-dodecane 0.07
    diethylene glycol 16.43
    diisopropyl ether 2.36
    tert-amyl alcohol 6.47
    acetylacetone 9.24
    n-hexadecane 0.08
    acetophenone 8.33
    methyl propionate 7.92
    isopentyl acetate 8.1
    trichloroethylene 17.61
    n-nonanol 4.51
    cyclohexanol 7.93
    benzyl alcohol 10.64
    2-ethylhexanol 4.59
    isooctanol 6.03
    dipropyl ether 5.65
    1,2-dichlorobenzene 6.62
    ethyl lactate 4.57
    propylene carbonate 6.59
    n-methylformamide 9.03
    2-pentanol 7.9
    n-pentane 0.52
    1-propoxy-2-propanol 27.53
    1-methoxy-2-propyl acetate 15.75
    2-(2-methoxypropoxy) propanol 13.46
    mesitylene 3.28
    ε-caprolactone 14.26
    p-cymene 2.43
    epichlorohydrin 21.26
    1,1,1-trichloroethane 7.13
    2-aminoethanol 5.89
    morpholine-4-carbaldehyde 34.38
    sulfolane 16.09
    2,2,4-trimethylpentane 0.33
    2-methyltetrahydrofuran 13.87
    n-hexyl acetate 8.93
    isooctane 0.3
    2-(2-butoxyethoxy)ethanol 19.38
    sec-butyl acetate 4.18
    tert-butyl acetate 7.84
    decalin 0.42
    glycerin 4.64
    diglyme 31.71
    acrylic acid 4.24
    isopropyl myristate 2.66
    n-butyric acid 10.75
    acetyl acetate 4.16
    di(2-ethylhexyl) phthalate 5.8
    ethyl propionate 4.73
    nitromethane 6.59
    1,2-diethoxyethane 9.5
    benzonitrile 5.77
    trioctyl phosphate 3.4
    1-bromopropane 5.42
    gamma-valerolactone 37.72
    n-decanol 2.43
    triethyl phosphate 3.37
    4-methyl-2-pentanol 5.21
    propionitrile 5.05
    vinylene carbonate 7.24
    1,1,2-trichlorotrifluoroethane 16.12
    DMS 6.93
    cumene 2.75
    2-octanol 3.66
    2-hexanone 7.78
    octyl acetate 3.79
    limonene 2.64
    1,2-dimethoxyethane 23.79
    ethyl orthosilicate 4.21
    tributyl phosphate 2.92
    diacetone alcohol 11.56
    N,N-dimethylaniline 7.89
    acrylonitrile 5.18
    aniline 11.48
    1,3-propanediol 12.43
    bromobenzene 7.22
    dibromomethane 8.72
    1,1,2,2-tetrachloroethane 15.46
    2-methyl-cyclohexyl acetate 6.87
    tetrabutyl urea 4.8
    diisobutyl methanol 2.69
    2-phenylethanol 14.8
    styrene 4.46
    dioctyl adipate 4.94
    dimethyl sulfate 7.4
    ethyl butyrate 4.91
    methyl lactate 6.95
    butyl lactate 10.47
    diethyl carbonate 2.84
    propanediol butyl ether 13.97
    triethyl orthoformate 5.99
    p-tert-butyltoluene 2.58
    methyl 4-tert-butylbenzoate 13.73
    morpholine 38.08
    tert-butylamine 4.76
    n-dodecanol 1.27
    dimethoxymethane 31.24
    ethylene carbonate 6.01
    cyrene 14.5
    2-ethoxyethyl acetate 15.07
    2-ethylhexyl acetate 6.21
    1,2,4-trichlorobenzene 9.22
    4-methylpyridine 17.17
    dibutyl ether 2.49
    2,6-dimethyl-4-heptanol 2.69
    DEF 11.27
    dimethyl isosorbide 21.87
    tetrachloroethylene 10.89
    eugenol 16.24
    triacetin 9.19
    span 80 11.73
    1,4-butanediol 4.55
    1,1-dichloroethane 7.29
    2-methyl-1-pentanol 7.65
    methyl formate 4.14
    2-methyl-1-butanol 10.63
    n-decane 0.19
    butyronitrile 5.84
    3,7-dimethyl-1-octanol 3.23
    1-chlorooctane 1.24
    1-chlorotetradecane 0.29
    n-nonane 0.16
    undecane 0.11
    tert-butylcyclohexane 0.4
    cyclooctane 0.24
    cyclopentanol 8.92
    tetrahydropyran 19.4
    tert-amyl methyl ether 5.34
    2,5,8-trioxanonane 18.45
    1-hexene 2.1
    2-isopropoxyethanol 13.21
    2,2,2-trifluoroethanol 2.5
    methyl butyrate 5.6

    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