(Z,6S)-6-((3S,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-17-yl)-2-methylhept-2-enoic acid

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  • Identifiers

    CAS number
    472-30-0

    Molecular formula
    C30H48O3

    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(CC[C@@H](C4(C)C)O)C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 88.56%
    Sandalwood 58.06%
    Amber 56.79%
    Dry 47.99%
    Cedar 45.41%
    Musk 40.43%
    Balsamic 39.55%
    Vetiver 39.15%
    Powdery 38.33%
    Animal 30.78%

     

    Flavor
    Woody 73.4%
    Balsam 37.63%
    Sweet 35.78%
    Wood 32.72%
    Herbal 32.57%
    Pine 32.41%
    Camphor 30.73%
    Balsamic 24.35%
    Dry 22.94%
    Sandalwood 22.89%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.9

    pKa est.
    6.43 (neutral)

    Molecular weight
    456.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    443°C

    Flash point

    • 266.74 ˚C est.

  • Synonyms

    • (Z,6S)-6-[(3S,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
    • (Z,6S)-6-((3S,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-17-yl)-2-methylhept-2-enoic acid
    • RefChem:1051284
    • Masticadielic acid
    • 472-30-0
    • CHEMBL5266227
    • SCHEMBL31571681
    • HY-N3313
    • AKOS040762027
    • FS-9907
    • CS-0023876
    • 472-30-0

  • Applications

    The compound (Z,6S)-6-((3S,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-17-yl)-2-methylhept-2-enoic acid (CAS 472-30-0) is primarily used as an intermediate or building block in pharmaceutical manufacturing of steroid-based APIs; it also serves as a stereochemically defined scaffold in medicinal chemistry research and development for design of new steroid derivatives; in industry, it can be supplied for custom synthesis and scale-up programs as an advanced steroid precursor; in academic or industrial laboratories, it functions as a research reagent and analytical reference material for method development and characterization.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.48
    methanol 6.81
    isopropanol 8.7
    water 0.01
    ethyl acetate 3.99
    n-propanol 14.09
    acetone 5.24
    n-butanol 11.89
    acetonitrile 1.13
    DMF 26.11
    toluene 5.47
    isobutanol 8.13
    1,4-dioxane 19.11
    methyl acetate 3.37
    THF 37.12
    2-butanone 7.42
    n-pentanol 8.18
    sec-butanol 5.45
    n-hexane 0.36
    ethylene glycol 0.78
    NMP 15.78
    cyclohexane 0.32
    DMSO 7.66
    n-butyl acetate 5.16
    n-octanol 4.24
    chloroform 14.21
    n-propyl acetate 3.51
    acetic acid 4.13
    dichloromethane 7.01
    cyclohexanone 11.31
    propylene glycol 2.17
    isopropyl acetate 4.82
    DMAc 22.79
    2-ethoxyethanol 14.59
    isopentanol 7.88
    n-heptane 0.32
    ethyl formate 2.1
    1,2-dichloroethane 4.34
    n-hexanol 9.53
    2-methoxyethanol 20.13
    isobutyl acetate 3.77
    tetrachloromethane 2.48
    n-pentyl acetate 8.73
    transcutol 33.98
    n-heptanol 8.12
    ethylbenzene 2.74
    MIBK 6.23
    2-propoxyethanol 39.4
    tert-butanol 5.99
    MTBE 5.72
    2-butoxyethanol 25.13
    propionic acid 3.64
    o-xylene 3.2
    formic acid 1.78
    diethyl ether 6.58
    m-xylene 4.28
    p-xylene 2.78
    chlorobenzene 4.37
    dimethyl carbonate 3.63
    n-octane 0.15
    formamide 2.55
    cyclopentanone 13.6
    2-pentanone 7.16
    anisole 7.08
    cyclopentyl methyl ether 9.8
    gamma-butyrolactone 10.31
    1-methoxy-2-propanol 25.25
    pyridine 12.76
    3-pentanone 5.2
    furfural 8.86
    n-dodecane 0.07
    diethylene glycol 13.81
    diisopropyl ether 1.89
    tert-amyl alcohol 4.45
    acetylacetone 7.02
    n-hexadecane 0.08
    acetophenone 5.91
    methyl propionate 5.37
    isopentyl acetate 6.64
    trichloroethylene 10.65
    n-nonanol 5.01
    cyclohexanol 4.97
    benzyl alcohol 7.35
    2-ethylhexanol 3.88
    isooctanol 6.09
    dipropyl ether 4.93
    1,2-dichlorobenzene 4.09
    ethyl lactate 3.41
    propylene carbonate 4.44
    n-methylformamide 6.25
    2-pentanol 5.04
    n-pentane 0.38
    1-propoxy-2-propanol 23.23
    1-methoxy-2-propyl acetate 12.61
    2-(2-methoxypropoxy) propanol 13.51
    mesitylene 2.31
    ε-caprolactone 9.82
    p-cymene 1.98
    epichlorohydrin 14.64
    1,1,1-trichloroethane 4.11
    2-aminoethanol 4.4
    morpholine-4-carbaldehyde 25.57
    sulfolane 12.14
    2,2,4-trimethylpentane 0.27
    2-methyltetrahydrofuran 9.84
    n-hexyl acetate 8.59
    isooctane 0.27
    2-(2-butoxyethoxy)ethanol 20.62
    sec-butyl acetate 3.07
    tert-butyl acetate 6.37
    decalin 0.33
    glycerin 3.84
    diglyme 30.91
    acrylic acid 2.92
    isopropyl myristate 2.42
    n-butyric acid 7.42
    acetyl acetate 3.05
    di(2-ethylhexyl) phthalate 4.82
    ethyl propionate 3.33
    nitromethane 4.8
    1,2-diethoxyethane 8.74
    benzonitrile 3.61
    trioctyl phosphate 3.17
    1-bromopropane 3.0
    gamma-valerolactone 27.27
    n-decanol 2.57
    triethyl phosphate 2.63
    4-methyl-2-pentanol 3.85
    propionitrile 2.69
    vinylene carbonate 5.0
    1,1,2-trichlorotrifluoroethane 11.8
    DMS 5.59
    cumene 1.97
    2-octanol 3.61
    2-hexanone 5.72
    octyl acetate 3.6
    limonene 2.16
    1,2-dimethoxyethane 19.15
    ethyl orthosilicate 3.36
    tributyl phosphate 2.55
    diacetone alcohol 9.36
    N,N-dimethylaniline 6.0
    acrylonitrile 3.0
    aniline 6.83
    1,3-propanediol 9.29
    bromobenzene 4.06
    dibromomethane 4.95
    1,1,2,2-tetrachloroethane 9.62
    2-methyl-cyclohexyl acetate 5.3
    tetrabutyl urea 4.09
    diisobutyl methanol 2.42
    2-phenylethanol 10.96
    styrene 2.67
    dioctyl adipate 4.4
    dimethyl sulfate 5.6
    ethyl butyrate 3.8
    methyl lactate 5.25
    butyl lactate 9.45
    diethyl carbonate 2.15
    propanediol butyl ether 14.97
    triethyl orthoformate 4.92
    p-tert-butyltoluene 2.16
    methyl 4-tert-butylbenzoate 12.45
    morpholine 27.97
    tert-butylamine 3.04
    n-dodecanol 1.27
    dimethoxymethane 24.87
    ethylene carbonate 4.22
    cyrene 11.72
    2-ethoxyethyl acetate 14.1
    2-ethylhexyl acetate 5.07
    1,2,4-trichlorobenzene 5.7
    4-methylpyridine 10.08
    dibutyl ether 2.36
    2,6-dimethyl-4-heptanol 2.42
    DEF 7.76
    dimethyl isosorbide 19.72
    tetrachloroethylene 7.4
    eugenol 14.5
    triacetin 8.08
    span 80 11.95
    1,4-butanediol 3.38
    1,1-dichloroethane 3.95
    2-methyl-1-pentanol 5.42
    methyl formate 3.05
    2-methyl-1-butanol 6.81
    n-decane 0.2
    butyronitrile 3.3
    3,7-dimethyl-1-octanol 3.36
    1-chlorooctane 1.18
    1-chlorotetradecane 0.26
    n-nonane 0.17
    undecane 0.11
    tert-butylcyclohexane 0.34
    cyclooctane 0.2
    cyclopentanol 5.56
    tetrahydropyran 12.71
    tert-amyl methyl ether 4.04
    2,5,8-trioxanonane 18.01
    1-hexene 1.39
    2-isopropoxyethanol 10.58
    2,2,2-trifluoroethanol 1.88
    methyl butyrate 3.95

    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