(+)-Erythrodiol

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  • Identifiers

    CAS number
    545-48-2

    Molecular formula
    C30H50O2

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 90.88%
    Amber 63.07%
    Dry 56.1%
    Sandalwood 52.01%
    Cedar 51.58%
    Musk 48.0%
    Balsamic 41.42%
    Sweet 40.77%
    Vetiver 39.28%
    Earthy 37.1%

     

    Flavor
    Woody 72.09%
    Sweet 65.3%
    Camphor 53.67%
    Pine 53.22%
    Earthy 50.39%
    Balsam 45.44%
    Dry 45.4%
    Spicy 40.91%
    Fresh 38.88%
    Earth 37.69%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.6

    pKa est.
    7.72 (neutral)

    Molecular weight
    442.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    220°C

    Flash point

    • 248.69 ˚C est.

  • Synonyms

    • Erythrodiol
    • 545-48-2
    • 3beta-Erythrodiol
    • (3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
    • 3VWF903FSS
    • (3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol
    • CHEBI:67939
    • DTXSID401015931
    • (+)-Erythrodiol
    • RefChem:35688
    • DTXCID801474094
    • 208-890-4
    • Olean-12-ene-3beta,28-diol
    • Olean-12-ene-3,28-diol, (3b)-
    • 3b-Erythrodiol
    • (3beta)-Olean-12-ene-3,28-diol
    • MFCD00017294
    • CHEMBL400074
    • UNII-3VWF903FSS
    • Olean-12-ene-3.beta.,28-diol
    • (3ss)-Olean-12-ene-3,28-diol; (+)-Erythrodiol; 3ss-Erythrodiol
    • oleanolic alcohol
    • (3.beta.)-Olean-12-ene-3,28-diol
    • EINECS 208-890-4
    • Olean-12-ene-3,28-diol, (3.beta.)-
    • Erythrodiol (Standard)
    • 3.BETA.-ERYTHRODIOL
    • ERYTHRODIOL, (+)-
    • SCHEMBL610723
    • orb1299162
    • Erythrodiol, analytical standard
    • HY-N2419R
    • 3beta,28-dihydroxy-ole-12-ene
    • HY-N2419
    • BDBM50218200
    • MSK001407
    • AKOS016036259
    • EBC-616323
    • FE65722
    • BS-32544
    • 3.BETA.,28-DIHYDROXYOLEAN-12-ENE
    • CS-0022626
    • NS00043364
    • C20945
    • 545E482
    • Q27136414
    • 118204-21-0
    • 545-48-2

  • Applications

    (+)-Erythrodiol, CAS 545-48-2, is a natural triterpenoid alcohol found in olive oil and other plant sources. Real-world applications include: serving as an analytical marker for olive oil authenticity and quality control; acting as a starting material or intermediate for the synthesis of triterpene derivatives used in chemical R&D, cosmetics, and materials development; used as an analytical reference standard for chromatographic methods (HPLC/GC) in research and production; and may be considered as a natural cosmetic ingredient or formulation component within regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.27
    methanol 1.77
    isopropanol 2.96
    water 0.01
    ethyl acetate 5.57
    n-propanol 5.22
    acetone 4.84
    n-butanol 6.22
    acetonitrile 1.24
    DMF 15.24
    toluene 10.03
    isobutanol 4.18
    1,4-dioxane 17.8
    methyl acetate 3.69
    THF 30.35
    2-butanone 6.68
    n-pentanol 4.71
    sec-butanol 2.49
    n-hexane 0.37
    ethylene glycol 0.3
    NMP 18.07
    cyclohexane 0.39
    DMSO 4.52
    n-butyl acetate 6.78
    n-octanol 4.53
    chloroform 15.93
    n-propyl acetate 4.47
    acetic acid 2.64
    dichloromethane 7.44
    cyclohexanone 11.87
    propylene glycol 0.82
    isopropyl acetate 6.67
    DMAc 18.74
    2-ethoxyethanol 7.73
    isopentanol 5.56
    n-heptane 0.52
    ethyl formate 1.87
    1,2-dichloroethane 4.9
    n-hexanol 5.77
    2-methoxyethanol 8.74
    isobutyl acetate 5.43
    tetrachloromethane 2.78
    n-pentyl acetate 10.59
    transcutol 34.15
    n-heptanol 7.52
    ethylbenzene 4.53
    MIBK 7.75
    2-propoxyethanol 21.17
    tert-butanol 3.06
    MTBE 5.05
    2-butoxyethanol 19.4
    propionic acid 2.68
    o-xylene 5.08
    formic acid 0.89
    diethyl ether 6.24
    m-xylene 7.57
    p-xylene 4.42
    chlorobenzene 7.6
    dimethyl carbonate 4.51
    n-octane 0.18
    formamide 1.35
    cyclopentanone 14.69
    2-pentanone 7.97
    anisole 11.6
    cyclopentyl methyl ether 12.51
    gamma-butyrolactone 11.06
    1-methoxy-2-propanol 13.19
    pyridine 16.21
    3-pentanone 6.48
    furfural 11.02
    n-dodecane 0.08
    diethylene glycol 6.68
    diisopropyl ether 2.62
    tert-amyl alcohol 2.6
    acetylacetone 9.53
    n-hexadecane 0.1
    acetophenone 9.29
    methyl propionate 6.75
    isopentyl acetate 9.51
    trichloroethylene 14.11
    n-nonanol 5.74
    cyclohexanol 3.82
    benzyl alcohol 7.68
    2-ethylhexanol 4.35
    isooctanol 7.0
    dipropyl ether 7.13
    1,2-dichlorobenzene 7.08
    ethyl lactate 3.51
    propylene carbonate 5.78
    n-methylformamide 3.24
    2-pentanol 3.45
    n-pentane 0.39
    1-propoxy-2-propanol 18.14
    1-methoxy-2-propyl acetate 17.84
    2-(2-methoxypropoxy) propanol 14.4
    mesitylene 4.04
    ε-caprolactone 11.24
    p-cymene 3.83
    epichlorohydrin 14.18
    1,1,1-trichloroethane 5.85
    2-aminoethanol 1.43
    morpholine-4-carbaldehyde 26.42
    sulfolane 12.62
    2,2,4-trimethylpentane 0.36
    2-methyltetrahydrofuran 10.23
    n-hexyl acetate 10.76
    isooctane 0.39
    2-(2-butoxyethoxy)ethanol 20.71
    sec-butyl acetate 4.53
    tert-butyl acetate 9.1
    decalin 0.49
    glycerin 1.76
    diglyme 33.93
    acrylic acid 2.38
    isopropyl myristate 3.66
    n-butyric acid 5.8
    acetyl acetate 4.83
    di(2-ethylhexyl) phthalate 6.18
    ethyl propionate 4.94
    nitromethane 4.38
    1,2-diethoxyethane 10.35
    benzonitrile 5.27
    trioctyl phosphate 4.0
    1-bromopropane 3.25
    gamma-valerolactone 26.1
    n-decanol 3.04
    triethyl phosphate 4.49
    4-methyl-2-pentanol 3.62
    propionitrile 2.62
    vinylene carbonate 6.57
    1,1,2-trichlorotrifluoroethane 10.36
    DMS 7.55
    cumene 3.29
    2-octanol 3.63
    2-hexanone 5.62
    octyl acetate 4.88
    limonene 3.89
    1,2-dimethoxyethane 13.9
    ethyl orthosilicate 5.48
    tributyl phosphate 3.32
    diacetone alcohol 9.96
    N,N-dimethylaniline 9.94
    acrylonitrile 2.89
    aniline 8.78
    1,3-propanediol 3.54
    bromobenzene 8.02
    dibromomethane 5.19
    1,1,2,2-tetrachloroethane 11.21
    2-methyl-cyclohexyl acetate 7.84
    tetrabutyl urea 5.19
    diisobutyl methanol 3.56
    2-phenylethanol 11.08
    styrene 4.74
    dioctyl adipate 6.59
    dimethyl sulfate 6.79
    ethyl butyrate 6.35
    methyl lactate 4.44
    butyl lactate 9.84
    diethyl carbonate 3.78
    propanediol butyl ether 11.83
    triethyl orthoformate 7.94
    p-tert-butyltoluene 4.22
    methyl 4-tert-butylbenzoate 17.13
    morpholine 20.81
    tert-butylamine 2.03
    n-dodecanol 1.55
    dimethoxymethane 17.33
    ethylene carbonate 5.35
    cyrene 13.34
    2-ethoxyethyl acetate 16.22
    2-ethylhexyl acetate 7.55
    1,2,4-trichlorobenzene 10.11
    4-methylpyridine 13.5
    dibutyl ether 3.21
    2,6-dimethyl-4-heptanol 3.56
    DEF 9.48
    dimethyl isosorbide 24.71
    tetrachloroethylene 7.83
    eugenol 16.96
    triacetin 11.64
    span 80 12.77
    1,4-butanediol 1.45
    1,1-dichloroethane 4.44
    2-methyl-1-pentanol 4.29
    methyl formate 2.24
    2-methyl-1-butanol 4.7
    n-decane 0.25
    butyronitrile 3.21
    3,7-dimethyl-1-octanol 4.48
    1-chlorooctane 1.58
    1-chlorotetradecane 0.35
    n-nonane 0.21
    undecane 0.13
    tert-butylcyclohexane 0.55
    cyclooctane 0.28
    cyclopentanol 3.75
    tetrahydropyran 11.54
    tert-amyl methyl ether 4.21
    2,5,8-trioxanonane 20.56
    1-hexene 1.56
    2-isopropoxyethanol 7.07
    2,2,2-trifluoroethanol 1.43
    methyl butyrate 5.16

    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