Echinocystic Acid

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  • Identifiers

    CAS number
    510-30-5

    Molecular formula
    C30H48O4

    SMILES
    C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 82.69%
    Amber 52.71%
    Balsamic 50.22%
    Cedar 49.14%
    Dry 47.33%
    Camphoreous 41.35%
    Spicy 40.34%
    Sweet 37.52%
    Pine 37.48%
    Earthy 36.45%

     

    Flavor
    Woody 64.91%
    Camphor 50.81%
    Pine 47.64%
    Balsam 43.07%
    Herbal 41.26%
    Sweet 38.09%
    Bitter 37.18%
    Spicy 33.1%
    Earthy 32.94%
    Earth 28.94%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.9

    pKa est.
    5.83 (weak acid)

    Molecular weight
    472.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    171°C

    Flash point

    • 265.32 ˚C est.

  • Synonyms

    • Echinocystic acid
    • 510-30-5
    • L4DUW10YOF
    • (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
    • RefChem:136221
    • (3 beta,16 alpha)-3,16-dihydroxyolean-12-en-28-oic acid
    • (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bR)-5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
    • 208-112-3
    • CHEBI:4747
    • CHEMBL230128
    • (4aR,5R,6aS,6bR,8aR,10S,12aR,12bR,14bS)-5,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
    • MFCD00017295
    • (3beta,16alpha)-3,16-Dihydroxyolean-12-en-28-oic acid
    • UNII-L4DUW10YOF
    • Echinocystic-acid
    • DTXSID70965278
    • Echinocystic acid?
    • 3,16-dihydroxyolean-12-en-28-oic acid
    • EINECS 208-112-3
    • Echinocystic acid, >=95%
    • 3beta,16alpha-Dihydroxyolean-12-en-28-oic acid
    • Echinocystic acid (Standard)
    • SCHEMBL42864
    • HY-N0271R
    • WLZ4698
    • HMS6018F10
    • HY-N0271
    • BDBM50235152
    • EBC-43022
    • s3837
    • AKOS032962084
    • CCG-269473
    • CS-5397
    • FE65561
    • NS00044018
    • C08942
    • Q27106464
    • Z3251707616
    • (3.beta.,16.alpha.)-3,16-Dihydroxyolean-12-en-28-oic acid
    • OLEAN-12-EN-28-OIC ACID, 3.BETA.,16.ALPHA.-DIHYDROXY-
    • OLEAN-12-EN-28-OIC ACID, 3,16-DIHYDROXY-, (3.BETA.,16.ALPHA.)-
    • 510-30-5

  • Applications

    Echinocystic acid is a pentacyclic triterpenoid commonly used as an intermediate or starting material for the semi-synthetic synthesis of triterpenoid derivatives in pharmaceutical and agrochemical research; it is often evaluated as a lead scaffold for exploratory biological studies in academic and industrial R&D. In cosmetics and personal care, it may be investigated as a bioactive ingredient or active-supporting component. The compound also serves as a chemical building block for further transformations in industrial manufacturing and for the development of biobased materials and specialty polymers in research settings. Usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.57
    methanol 10.07
    isopropanol 8.06
    water 0.0
    ethyl acetate 6.75
    n-propanol 17.25
    acetone 7.36
    n-butanol 13.06
    acetonitrile 1.71
    DMF 94.31
    toluene 8.52
    isobutanol 9.92
    1,4-dioxane 48.55
    methyl acetate 5.75
    THF 122.18
    2-butanone 12.47
    n-pentanol 10.54
    sec-butanol 7.46
    n-hexane 0.42
    ethylene glycol 1.21
    NMP 60.65
    cyclohexane 0.41
    DMSO 18.51
    n-butyl acetate 7.45
    n-octanol 3.92
    chloroform 20.22
    n-propyl acetate 4.83
    acetic acid 5.99
    dichloromethane 10.88
    cyclohexanone 19.55
    propylene glycol 4.21
    isopropyl acetate 6.51
    DMAc 53.82
    2-ethoxyethanol 23.22
    isopentanol 8.25
    n-heptane 0.36
    ethyl formate 3.53
    1,2-dichloroethane 6.83
    n-hexanol 11.89
    2-methoxyethanol 38.68
    isobutyl acetate 4.66
    tetrachloromethane 2.27
    n-pentyl acetate 10.24
    transcutol 41.4
    n-heptanol 8.1
    ethylbenzene 3.76
    MIBK 7.76
    2-propoxyethanol 58.08
    tert-butanol 5.59
    MTBE 7.12
    2-butoxyethanol 27.73
    propionic acid 5.4
    o-xylene 4.19
    formic acid 3.06
    diethyl ether 10.17
    m-xylene 5.61
    p-xylene 3.6
    chlorobenzene 6.05
    dimethyl carbonate 7.93
    n-octane 0.12
    formamide 4.4
    cyclopentanone 36.87
    2-pentanone 11.56
    anisole 10.53
    cyclopentyl methyl ether 25.6
    gamma-butyrolactone 30.13
    1-methoxy-2-propanol 46.01
    pyridine 30.88
    3-pentanone 8.71
    furfural 21.4
    n-dodecane 0.05
    diethylene glycol 21.06
    diisopropyl ether 2.31
    tert-amyl alcohol 5.41
    acetylacetone 11.7
    n-hexadecane 0.07
    acetophenone 9.13
    methyl propionate 11.29
    isopentyl acetate 7.99
    trichloroethylene 18.49
    n-nonanol 4.39
    cyclohexanol 7.02
    benzyl alcohol 11.66
    2-ethylhexanol 4.64
    isooctanol 5.74
    dipropyl ether 7.03
    1,2-dichlorobenzene 5.21
    ethyl lactate 5.2
    propylene carbonate 9.53
    n-methylformamide 16.41
    2-pentanol 6.02
    n-pentane 0.43
    1-propoxy-2-propanol 33.72
    1-methoxy-2-propyl acetate 21.07
    2-(2-methoxypropoxy) propanol 15.96
    mesitylene 2.71
    ε-caprolactone 18.34
    p-cymene 2.37
    epichlorohydrin 41.04
    1,1,1-trichloroethane 4.98
    2-aminoethanol 7.08
    morpholine-4-carbaldehyde 78.74
    sulfolane 36.63
    2,2,4-trimethylpentane 0.29
    2-methyltetrahydrofuran 28.84
    n-hexyl acetate 10.46
    isooctane 0.25
    2-(2-butoxyethoxy)ethanol 25.04
    sec-butyl acetate 4.1
    tert-butyl acetate 8.04
    decalin 0.41
    glycerin 7.55
    diglyme 42.07
    acrylic acid 5.25
    isopropyl myristate 2.52
    n-butyric acid 9.72
    acetyl acetate 4.17
    di(2-ethylhexyl) phthalate 5.02
    ethyl propionate 5.14
    nitromethane 9.28
    1,2-diethoxyethane 11.64
    benzonitrile 5.59
    trioctyl phosphate 3.46
    1-bromopropane 4.52
    gamma-valerolactone 64.34
    n-decanol 2.22
    triethyl phosphate 3.54
    4-methyl-2-pentanol 4.0
    propionitrile 3.84
    vinylene carbonate 9.96
    1,1,2-trichlorotrifluoroethane 25.56
    DMS 8.46
    cumene 2.47
    2-octanol 3.4
    2-hexanone 7.53
    octyl acetate 4.23
    limonene 2.9
    1,2-dimethoxyethane 29.94
    ethyl orthosilicate 4.07
    tributyl phosphate 2.77
    diacetone alcohol 13.0
    N,N-dimethylaniline 8.53
    acrylonitrile 5.02
    aniline 10.93
    1,3-propanediol 12.04
    bromobenzene 5.51
    dibromomethane 6.78
    1,1,2,2-tetrachloroethane 16.53
    2-methyl-cyclohexyl acetate 6.59
    tetrabutyl urea 4.78
    diisobutyl methanol 2.54
    2-phenylethanol 14.34
    styrene 3.88
    dioctyl adipate 5.06
    dimethyl sulfate 13.87
    ethyl butyrate 5.26
    methyl lactate 10.93
    butyl lactate 11.29
    diethyl carbonate 2.92
    propanediol butyl ether 19.22
    triethyl orthoformate 6.3
    p-tert-butyltoluene 2.48
    methyl 4-tert-butylbenzoate 14.08
    morpholine 79.51
    tert-butylamine 2.6
    n-dodecanol 1.1
    dimethoxymethane 61.92
    ethylene carbonate 7.84
    cyrene 21.47
    2-ethoxyethyl acetate 17.18
    2-ethylhexyl acetate 6.28
    1,2,4-trichlorobenzene 8.49
    4-methylpyridine 19.88
    dibutyl ether 2.4
    2,6-dimethyl-4-heptanol 2.54
    DEF 17.57
    dimethyl isosorbide 30.44
    tetrachloroethylene 10.81
    eugenol 15.28
    triacetin 10.02
    span 80 15.44
    1,4-butanediol 4.16
    1,1-dichloroethane 5.52
    2-methyl-1-pentanol 6.39
    methyl formate 8.25
    2-methyl-1-butanol 8.8
    n-decane 0.16
    butyronitrile 4.33
    3,7-dimethyl-1-octanol 3.36
    1-chlorooctane 1.14
    1-chlorotetradecane 0.24
    n-nonane 0.13
    undecane 0.08
    tert-butylcyclohexane 0.4
    cyclooctane 0.24
    cyclopentanol 11.78
    tetrahydropyran 29.18
    tert-amyl methyl ether 6.08
    2,5,8-trioxanonane 22.57
    1-hexene 1.93
    2-isopropoxyethanol 14.45
    2,2,2-trifluoroethanol 2.28
    methyl butyrate 6.23

    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