Ceanothic Acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    21302-79-4

    Molecular formula
    C30H46O5

    SMILES
    CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4([C@H]([C@@H](C5(C)C)O)C(=O)O)C)C)C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 74.84%
    Balsamic 46.15%
    Herbal 42.82%
    Cedar 42.55%
    Amber 41.78%
    Spicy 40.88%
    Dry 39.89%
    Pine 37.07%
    Camphoreous 34.16%
    Mint 28.98%

     

    Flavor
    Woody 38.14%
    Bitter 35.91%
    Balsam 28.12%
    Minty 26.39%
    Pine 26.2%
    Camphor 26.09%
    Herbal 25.54%
    Odorless 25.45%
    Cedarleaf 22.31%
    Sandalwood 21.98%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.6

    pKa est.
    4.67 (weak acid)

    Molecular weight
    486.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    334°C

    Flash point

    • 253.81 ˚C est.

  • Synonyms

    • Ceanothic acid
    • 21302-79-4
    • 38P86ZU018
    • (1R,2R,5S,8R,9R,10R,13R,14R,15R,16S,18R)-16-hydroxy-1,2,14,17,17-pentamethyl-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5,15-dicarboxylic acid
    • (1R,2R,5S,8R,9R,10R,13R,14R,15R,16S,18R)-16-hydroxy-1,2,14,17,17-pentamethyl-8-prop-1-en-2-ylpentacyclo(11.7.0.02,10.05,9.014,18)icosane-5,15-dicarboxylic acid
    • RefChem:124161
    • Emmolic acid
    • CHEMBL491069
    • (1R,2S,3aR,5aR,5bR,7aS,10R,10aR,10bR,12aR,12bR)-2-hydroxy-3,3,5a,5b,12b-pentamethyl-10-(prop-1-en-2-yl)octadecahydrodicyclopenta[a,i]phenanthrene-1,7a(1H)-dicarboxylic acid
    • CEANOTHIC ACID [MI]
    • SCHEMBL965383
    • orb1684713
    • UNII-38P86ZU018
    • DTXSID20943809
    • GLXC-17070
    • 2-hydroxy-3,3,5a,5b,12b-pentamethyl-10-(prop-1-en-2-yl)octadecahydrodicyclopenta[a,i]phenanthrene-1,7a(1h)-dicarboxylic acid
    • HY-N3558
    • BDBM50377959
    • AKOS040760316
    • DA-73088
    • MS-29047
    • CS-0023840
    • G13922
    • Q27256803
    • 2.ALPHA.-CARBOXY-3.BETA.-HYDROXY-A(1)-NORLUP-20(29)-EN-28-OIC ACID
    • A(1)-Norlup-20(29)-en-28-oic acid, 2-carboxy-3-hydroxy-, (2alpha,3beta)-
    • 3'H-CYCLOPENTA(3,4)-18-NORANDROST-3-ENE-3',13-DICARBOXYLIC ACID, TETRAHYDRO-4'-HYDROXY-4,5',5',9-TETRAMETHYL-15-(1-METHYLETHENYL)-, (3.BETA.,3'.BETA.,4.ALPHA.,4'.ALPHA.,5.BETA.,8.ALPHA.,9.BETA.,10.ALPHA.,13.ALPHA.,14.BETA.,15.BETA.)-
    • 21302-79-4

  • Applications

    Ceanothic acid is a pentacyclic triterpenoid isolated from Ceanothus species. In industry it is primarily utilized as an intermediate and building block for the synthesis of more complex triterpenoid derivatives, supporting pharmaceutical research and natural product chemistry. It is also used as a reference material in analytical and spectroscopic method development and quality assessment. In addition, the compound is commonly evaluated in early pharmacological screens for potential biological activity and explored as a starting point for niche applications in agrochemical and cosmetic research, within the bounds of local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 18.07
    methanol 18.78
    isopropanol 15.72
    water 0.01
    ethyl acetate 6.44
    n-propanol 24.69
    acetone 10.08
    n-butanol 17.4
    acetonitrile 2.85
    DMF 113.06
    toluene 6.95
    isobutanol 13.24
    1,4-dioxane 41.27
    methyl acetate 6.41
    THF 146.93
    2-butanone 13.96
    n-pentanol 11.57
    sec-butanol 10.43
    n-hexane 0.27
    ethylene glycol 3.62
    NMP 71.56
    cyclohexane 0.28
    DMSO 35.7
    n-butyl acetate 7.06
    n-octanol 2.83
    chloroform 24.54
    n-propyl acetate 4.65
    acetic acid 11.51
    dichloromethane 13.09
    cyclohexanone 23.28
    propylene glycol 10.93
    isopropyl acetate 6.47
    DMAc 61.84
    2-ethoxyethanol 27.79
    isopentanol 10.02
    n-heptane 0.2
    ethyl formate 4.46
    1,2-dichloroethane 7.67
    n-hexanol 12.6
    2-methoxyethanol 56.51
    isobutyl acetate 3.95
    tetrachloromethane 2.66
    n-pentyl acetate 8.7
    transcutol 27.34
    n-heptanol 6.97
    ethylbenzene 2.9
    MIBK 8.07
    2-propoxyethanol 65.07
    tert-butanol 9.62
    MTBE 5.8
    2-butoxyethanol 28.33
    propionic acid 8.71
    o-xylene 3.23
    formic acid 6.66
    diethyl ether 8.4
    m-xylene 4.66
    p-xylene 3.13
    chlorobenzene 6.1
    dimethyl carbonate 9.76
    n-octane 0.07
    formamide 9.05
    cyclopentanone 48.96
    2-pentanone 12.27
    anisole 8.43
    cyclopentyl methyl ether 21.94
    gamma-butyrolactone 42.18
    1-methoxy-2-propanol 61.91
    pyridine 31.13
    3-pentanone 8.39
    furfural 28.31
    n-dodecane 0.03
    diethylene glycol 35.14
    diisopropyl ether 1.69
    tert-amyl alcohol 6.63
    acetylacetone 13.66
    n-hexadecane 0.04
    acetophenone 8.88
    methyl propionate 11.15
    isopentyl acetate 7.15
    trichloroethylene 22.72
    n-nonanol 3.1
    cyclohexanol 8.01
    benzyl alcohol 12.07
    2-ethylhexanol 3.83
    isooctanol 4.64
    dipropyl ether 4.87
    1,2-dichlorobenzene 5.47
    ethyl lactate 6.09
    propylene carbonate 12.8
    n-methylformamide 26.36
    2-pentanol 7.28
    n-pentane 0.32
    1-propoxy-2-propanol 34.93
    1-methoxy-2-propyl acetate 20.43
    2-(2-methoxypropoxy) propanol 13.66
    mesitylene 2.12
    ε-caprolactone 20.68
    p-cymene 1.66
    epichlorohydrin 48.89
    1,1,1-trichloroethane 5.92
    2-aminoethanol 15.64
    morpholine-4-carbaldehyde 76.86
    sulfolane 54.97
    2,2,4-trimethylpentane 0.18
    2-methyltetrahydrofuran 28.7
    n-hexyl acetate 7.98
    isooctane 0.16
    2-(2-butoxyethoxy)ethanol 20.26
    sec-butyl acetate 3.57
    tert-butyl acetate 8.19
    decalin 0.24
    glycerin 18.16
    diglyme 32.87
    acrylic acid 9.74
    isopropyl myristate 1.72
    n-butyric acid 13.25
    acetyl acetate 4.32
    di(2-ethylhexyl) phthalate 4.63
    ethyl propionate 4.83
    nitromethane 15.11
    1,2-diethoxyethane 7.23
    benzonitrile 6.27
    trioctyl phosphate 2.98
    1-bromopropane 4.54
    gamma-valerolactone 77.85
    n-decanol 1.47
    triethyl phosphate 3.11
    4-methyl-2-pentanol 4.3
    propionitrile 5.37
    vinylene carbonate 13.26
    1,1,2-trichlorotrifluoroethane 37.81
    DMS 7.87
    cumene 1.77
    2-octanol 2.72
    2-hexanone 7.5
    octyl acetate 3.0
    limonene 1.88
    1,2-dimethoxyethane 30.96
    ethyl orthosilicate 3.23
    tributyl phosphate 2.49
    diacetone alcohol 15.55
    N,N-dimethylaniline 6.5
    acrylonitrile 7.87
    aniline 11.26
    1,3-propanediol 24.12
    bromobenzene 5.5
    dibromomethane 7.46
    1,1,2,2-tetrachloroethane 19.7
    2-methyl-cyclohexyl acetate 5.67
    tetrabutyl urea 4.29
    diisobutyl methanol 2.01
    2-phenylethanol 15.4
    styrene 2.9
    dioctyl adipate 3.97
    dimethyl sulfate 19.01
    ethyl butyrate 4.52
    methyl lactate 15.14
    butyl lactate 11.36
    diethyl carbonate 2.73
    propanediol butyl ether 20.0
    triethyl orthoformate 5.11
    p-tert-butyltoluene 1.7
    methyl 4-tert-butylbenzoate 12.39
    morpholine 71.0
    tert-butylamine 3.07
    n-dodecanol 0.71
    dimethoxymethane 66.75
    ethylene carbonate 9.81
    cyrene 25.59
    2-ethoxyethyl acetate 13.97
    2-ethylhexyl acetate 5.33
    1,2,4-trichlorobenzene 8.93
    4-methylpyridine 20.43
    dibutyl ether 1.46
    2,6-dimethyl-4-heptanol 2.01
    DEF 16.59
    dimethyl isosorbide 27.85
    tetrachloroethylene 12.67
    eugenol 15.01
    triacetin 8.73
    span 80 14.22
    1,4-butanediol 8.26
    1,1-dichloroethane 6.6
    2-methyl-1-pentanol 6.64
    methyl formate 13.6
    2-methyl-1-butanol 9.9
    n-decane 0.08
    butyronitrile 5.65
    3,7-dimethyl-1-octanol 2.47
    1-chlorooctane 0.71
    1-chlorotetradecane 0.15
    n-nonane 0.07
    undecane 0.04
    tert-butylcyclohexane 0.22
    cyclooctane 0.14
    cyclopentanol 16.73
    tetrahydropyran 25.37
    tert-amyl methyl ether 4.8
    2,5,8-trioxanonane 18.29
    1-hexene 1.45
    2-isopropoxyethanol 15.39
    2,2,2-trifluoroethanol 4.8
    methyl butyrate 6.14

    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