Rubitic acid

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  • Identifiers

    CAS number
    28348-90-5

    Molecular formula
    C30H48O4

    SMILES
    C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3([C@@H](C[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)O)C)[C@@H]2[C@H]1C)C)C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 78.97%
    Balsamic 55.95%
    Herbal 52.0%
    Camphoreous 48.23%
    Spicy 45.83%
    Pine 44.67%
    Cedar 42.64%
    Earthy 41.4%
    Amber 40.68%
    Dry 38.13%

     

    Flavor
    Woody 55.01%
    Camphor 45.74%
    Pine 44.45%
    Herbal 43.69%
    Balsam 43.21%
    Bitter 37.4%
    Sweet 34.86%
    Earthy 32.08%
    Spicy 31.94%
    Minty 31.54%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.0

    pKa est.
    5.75 (weak acid)

    Molecular weight
    472.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    120°C

    Flash point

    • 271.36 ˚C est.

  • Synonyms

    • Rubitic acid
    • (1S,2R,4aS,6aR,6aR,6bR,7R,8aR,10S,12aS,14bS)-7,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
    • 28348-90-5
    • 3beta,7alpha-Dihydroxyurs-12-en-28-oic acid
    • UZV56W9R2X
    • CHEBI:175731
    • DTXSID701265826
    • (3beta,7alpha)-3,7-Dihydroxyurs-12-en-28-oic acid
    • (3I(2),7I+/-)-3,7-Dihydroxyurs-12-en-28-oic acid
    • Urs-12-en-28-oic acid, 3,7-dihydroxy-, (3beta,7alpha)-
    • 28348-90-5

  • Applications

    Rubitic acid, CAS 28348-90-5, is an organic acid primarily used as an intermediate in organic synthesis and as a functional component in polymer systems. In plastics and materials processing, it is commonly used as an intermediate or a crosslinking agent to form and tailor the polymer network. In coatings and inks, it can act as a functional additive, helping adjust the acidity of the system and promote adhesion or resin crosslinking. In pharmaceutical synthesis, it is considered a starting material for the preparation of more complex organic compounds. In cleaning formulations, it can function as an acidulant and a metal-chelating agent, enhancing cleaning performance and formulation stability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 18.98
    methanol 22.41
    isopropanol 14.14
    water 0.01
    ethyl acetate 3.65
    n-propanol 20.73
    acetone 8.37
    n-butanol 12.71
    acetonitrile 1.89
    DMF 90.06
    toluene 4.52
    isobutanol 10.51
    1,4-dioxane 37.12
    methyl acetate 3.82
    THF 73.34
    2-butanone 8.83
    n-pentanol 9.09
    sec-butanol 5.69
    n-hexane 0.24
    ethylene glycol 2.3
    NMP 28.6
    cyclohexane 0.22
    DMSO 21.84
    n-butyl acetate 4.8
    n-octanol 4.15
    chloroform 10.61
    n-propyl acetate 3.24
    acetic acid 5.6
    dichloromethane 6.05
    cyclohexanone 12.58
    propylene glycol 5.06
    isopropyl acetate 3.7
    DMAc 33.52
    2-ethoxyethanol 21.55
    isopentanol 6.89
    n-heptane 0.2
    ethyl formate 2.86
    1,2-dichloroethane 4.29
    n-hexanol 9.61
    2-methoxyethanol 39.62
    isobutyl acetate 3.16
    tetrachloromethane 1.65
    n-pentyl acetate 8.16
    transcutol 27.17
    n-heptanol 7.68
    ethylbenzene 2.39
    MIBK 4.84
    2-propoxyethanol 46.84
    tert-butanol 7.46
    MTBE 4.49
    2-butoxyethanol 26.09
    propionic acid 4.15
    o-xylene 2.52
    formic acid 3.65
    diethyl ether 6.53
    m-xylene 3.25
    p-xylene 2.52
    chlorobenzene 3.39
    dimethyl carbonate 4.97
    n-octane 0.11
    formamide 5.32
    cyclopentanone 23.19
    2-pentanone 7.16
    anisole 6.63
    cyclopentyl methyl ether 11.67
    gamma-butyrolactone 16.59
    1-methoxy-2-propanol 36.74
    pyridine 19.45
    3-pentanone 5.04
    furfural 13.02
    n-dodecane 0.05
    diethylene glycol 22.95
    diisopropyl ether 1.4
    tert-amyl alcohol 3.98
    acetylacetone 7.4
    n-hexadecane 0.06
    acetophenone 5.95
    methyl propionate 6.12
    isopentyl acetate 5.32
    trichloroethylene 10.03
    n-nonanol 4.58
    cyclohexanol 4.55
    benzyl alcohol 9.01
    2-ethylhexanol 3.23
    isooctanol 5.24
    dipropyl ether 4.25
    1,2-dichlorobenzene 3.01
    ethyl lactate 3.64
    propylene carbonate 5.0
    n-methylformamide 17.7
    2-pentanol 4.27
    n-pentane 0.26
    1-propoxy-2-propanol 25.38
    1-methoxy-2-propyl acetate 12.43
    2-(2-methoxypropoxy) propanol 12.61
    mesitylene 1.75
    ε-caprolactone 9.92
    p-cymene 1.59
    epichlorohydrin 23.87
    1,1,1-trichloroethane 3.04
    2-aminoethanol 10.29
    morpholine-4-carbaldehyde 50.45
    sulfolane 20.54
    2,2,4-trimethylpentane 0.15
    2-methyltetrahydrofuran 13.1
    n-hexyl acetate 7.97
    isooctane 0.15
    2-(2-butoxyethoxy)ethanol 20.88
    sec-butyl acetate 2.38
    tert-butyl acetate 4.66
    decalin 0.22
    glycerin 8.42
    diglyme 31.0
    acrylic acid 4.2
    isopropyl myristate 1.95
    n-butyric acid 6.61
    acetyl acetate 2.51
    di(2-ethylhexyl) phthalate 4.44
    ethyl propionate 2.87
    nitromethane 8.15
    1,2-diethoxyethane 8.54
    benzonitrile 4.64
    trioctyl phosphate 3.07
    1-bromopropane 2.33
    gamma-valerolactone 41.73
    n-decanol 2.3
    triethyl phosphate 2.18
    4-methyl-2-pentanol 2.88
    propionitrile 3.6
    vinylene carbonate 5.95
    1,1,2-trichlorotrifluoroethane 15.65
    DMS 5.49
    cumene 1.6
    2-octanol 3.23
    2-hexanone 5.31
    octyl acetate 3.31
    limonene 1.66
    1,2-dimethoxyethane 26.38
    ethyl orthosilicate 2.49
    tributyl phosphate 2.24
    diacetone alcohol 8.55
    N,N-dimethylaniline 5.61
    acrylonitrile 4.74
    aniline 7.07
    1,3-propanediol 16.54
    bromobenzene 2.98
    dibromomethane 3.71
    1,1,2,2-tetrachloroethane 8.93
    2-methyl-cyclohexyl acetate 4.11
    tetrabutyl urea 4.0
    diisobutyl methanol 1.92
    2-phenylethanol 11.17
    styrene 2.42
    dioctyl adipate 3.82
    dimethyl sulfate 7.3
    ethyl butyrate 2.97
    methyl lactate 7.03
    butyl lactate 9.73
    diethyl carbonate 1.85
    propanediol butyl ether 18.79
    triethyl orthoformate 3.85
    p-tert-butyltoluene 1.73
    methyl 4-tert-butylbenzoate 10.33
    morpholine 55.52
    tert-butylamine 2.88
    n-dodecanol 1.1
    dimethoxymethane 47.67
    ethylene carbonate 4.88
    cyrene 13.32
    2-ethoxyethyl acetate 13.72
    2-ethylhexyl acetate 3.89
    1,2,4-trichlorobenzene 4.66
    4-methylpyridine 12.34
    dibutyl ether 1.88
    2,6-dimethyl-4-heptanol 1.92
    DEF 9.7
    dimethyl isosorbide 19.69
    tetrachloroethylene 6.89
    eugenol 12.87
    triacetin 7.02
    span 80 11.87
    1,4-butanediol 6.31
    1,1-dichloroethane 3.44
    2-methyl-1-pentanol 4.77
    methyl formate 8.86
    2-methyl-1-butanol 6.2
    n-decane 0.14
    butyronitrile 3.57
    3,7-dimethyl-1-octanol 2.84
    1-chlorooctane 0.89
    1-chlorotetradecane 0.2
    n-nonane 0.13
    undecane 0.08
    tert-butylcyclohexane 0.22
    cyclooctane 0.13
    cyclopentanol 8.23
    tetrahydropyran 17.36
    tert-amyl methyl ether 2.95
    2,5,8-trioxanonane 18.21
    1-hexene 1.12
    2-isopropoxyethanol 11.98
    2,2,2-trifluoroethanol 2.16
    methyl butyrate 3.74

    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