alpha-Elemolic acid

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  • Identifiers

    CAS number
    28282-27-1

    Molecular formula
    C30H48O3

    SMILES
    CC(=CCC[C@@H]([C@@H]1CC[C@]2([C@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@H](C4(C)C)O)C)C)C)C(=O)O)C

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  • Odor profile

    Fragrance
    Woody 87.54%
    Amber 57.49%
    Sandalwood 55.18%
    Dry 48.13%
    Cedar 44.25%
    Musk 41.86%
    Balsamic 41.08%
    Vetiver 38.7%
    Powdery 36.12%
    Animal 32.06%

     

    Flavor
    Woody 70.14%
    Balsam 39.15%
    Sweet 38.06%
    Pine 31.93%
    Wood 31.09%
    Camphor 29.58%
    Herbal 29.54%
    Balsamic 25.65%
    Dry 23.92%
    Sandalwood 23.13%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.5

    pKa est.
    6.61 (neutral)

    Molecular weight
    456.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    438°C

    Melting point expt.

    • 220 - 224 °C

    Flash point

    • 254.54 ˚C est.

  • Synonyms

    • alpha-Elemolic acid
    • 28282-27-1
    • (2S)-2-[(3R,5R,10S,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid
    • DTXSID201317040
    • (2S)-2-((2S,5R,7R,11S,14S,15S)-5-hydroxy-2,6,6,11,15-pentamethyltetracyclo(8.7.0.0^(2,7).0^(11,15))heptadec-1(10)-en-14-yl)-6-methylhept-5-enoic acid
    • (2S)-2-((3R,5R,10S,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta(a)phenanthren-17-yl)-6-methylhept-5-enoic acid
    • (2S)-2-[(2S,5R,7R,11S,14S,15S)-5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-6-methylhept-5-enoic acid
    • RefChem:1076495
    • DTXCID401746859
    • 3-Hydroxytirucallic acid
    • 3alpha-Hydroxytirucalla-8,24-dien-21-oic acid
    • 8L9Q67LR3K
    • CHEMBL3289096
    • CHEBI:10274
    • a-Elemolic acid
    • 3alpha-Hydroxytirucallenoic acid
    • Elemadienolic acid
    • Epielemadienolic acid
    • I+/--Elemolic acid
    • alpha-Elemenadienolic acid
    • UNII-8L9Q67LR3K
    • orb1991611
    • SCHEMBL5605908
    • BDBM50019156
    • C08623
    • Q27108608
    • (20S)-3alpha-Hydroxy-13alpha,14beta,17alpha-lanosta-8,24-dien-21-oic acid
    • (3alpha,13alpha,14beta,17alpha,20S)-3-Hydroxylanosta-8,24-dien-21-oic acid
    • 13alpha,14beta,17betaH-Lanosta-8,24-dien-21-oic acid, 3alpha-hydroxy-, (20S)-
    • Lanosta-8,24-dien-21-oic acid, 3-hydroxy-, (3alpha,13alpha,14beta,17alpha,20S)-
    • (2R)-6-METHYL-2-((3R,5R,10R,13R,14S,17R)-4,4,10,13,14-PENTAMETHYL-3-OXIDANYL-2,3,5,6,7,11,12,15,16,17-DECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-17-YL)HEPT-5-ENOIC ACID
    • 28282-27-1

  • Applications

    alpha-Elemolic acid is typically used as a specialty intermediate in fragrance chemistry, serving as an aroma compound or a precursor for the synthesis of other terpenoid derivatives; it may also find application in cosmetics and personal care as a fragrance ingredient or functional additive. In household products, it can participate in fragrance formulations and act as a component in scent delivery systems. As a biobased building block, it is of interest for certain polymer, coatings, and adhesive formulations, where it may serve as a resin modifier or starting material for further chemical transformations, always subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.12
    methanol 9.48
    isopropanol 17.89
    water 0.01
    ethyl acetate 9.77
    n-propanol 29.44
    acetone 11.08
    n-butanol 24.95
    acetonitrile 2.43
    DMF 72.14
    toluene 12.98
    isobutanol 17.76
    1,4-dioxane 41.7
    methyl acetate 8.3
    THF 83.68
    2-butanone 17.56
    n-pentanol 16.29
    sec-butanol 13.61
    n-hexane 0.74
    ethylene glycol 1.39
    NMP 42.74
    cyclohexane 0.74
    DMSO 15.47
    n-butyl acetate 12.17
    n-octanol 6.61
    chloroform 33.18
    n-propyl acetate 7.54
    acetic acid 7.86
    dichloromethane 16.06
    cyclohexanone 25.86
    propylene glycol 4.25
    isopropyl acetate 10.59
    DMAc 56.29
    2-ethoxyethanol 25.56
    isopentanol 16.02
    n-heptane 0.59
    ethyl formate 4.5
    1,2-dichloroethane 10.79
    n-hexanol 19.18
    2-methoxyethanol 36.82
    isobutyl acetate 7.73
    tetrachloromethane 5.14
    n-pentyl acetate 16.21
    transcutol 54.21
    n-heptanol 12.51
    ethylbenzene 6.08
    MIBK 11.9
    2-propoxyethanol 69.2
    tert-butanol 11.91
    MTBE 11.88
    2-butoxyethanol 36.91
    propionic acid 8.28
    o-xylene 6.69
    formic acid 2.92
    diethyl ether 15.89
    m-xylene 8.52
    p-xylene 6.02
    chlorobenzene 10.58
    dimethyl carbonate 9.13
    n-octane 0.23
    formamide 4.47
    cyclopentanone 33.33
    2-pentanone 16.39
    anisole 14.17
    cyclopentyl methyl ether 24.22
    gamma-butyrolactone 26.13
    1-methoxy-2-propanol 47.98
    pyridine 29.09
    3-pentanone 13.27
    furfural 19.03
    n-dodecane 0.1
    diethylene glycol 24.49
    diisopropyl ether 4.16
    tert-amyl alcohol 9.46
    acetylacetone 14.59
    n-hexadecane 0.13
    acetophenone 11.88
    methyl propionate 13.66
    isopentyl acetate 14.35
    trichloroethylene 25.53
    n-nonanol 7.69
    cyclohexanol 11.81
    benzyl alcohol 14.07
    2-ethylhexanol 7.56
    isooctanol 9.3
    dipropyl ether 10.41
    1,2-dichlorobenzene 9.62
    ethyl lactate 7.11
    propylene carbonate 10.85
    n-methylformamide 14.5
    2-pentanol 12.29
    n-pentane 0.9
    1-propoxy-2-propanol 42.49
    1-methoxy-2-propyl acetate 26.85
    2-(2-methoxypropoxy) propanol 22.29
    mesitylene 4.16
    ε-caprolactone 22.63
    p-cymene 3.75
    epichlorohydrin 35.54
    1,1,1-trichloroethane 10.46
    2-aminoethanol 8.22
    morpholine-4-carbaldehyde 58.92
    sulfolane 28.05
    2,2,4-trimethylpentane 0.54
    2-methyltetrahydrofuran 25.36
    n-hexyl acetate 15.91
    isooctane 0.47
    2-(2-butoxyethoxy)ethanol 32.11
    sec-butyl acetate 6.81
    tert-butyl acetate 12.4
    decalin 0.66
    glycerin 7.63
    diglyme 52.9
    acrylic acid 6.63
    isopropyl myristate 4.66
    n-butyric acid 15.23
    acetyl acetate 6.9
    di(2-ethylhexyl) phthalate 8.46
    ethyl propionate 7.9
    nitromethane 10.68
    1,2-diethoxyethane 16.76
    benzonitrile 7.87
    trioctyl phosphate 5.91
    1-bromopropane 8.38
    gamma-valerolactone 56.41
    n-decanol 4.15
    triethyl phosphate 5.74
    4-methyl-2-pentanol 7.59
    propionitrile 6.86
    vinylene carbonate 11.49
    1,1,2-trichlorotrifluoroethane 24.7
    DMS 12.56
    cumene 3.89
    2-octanol 5.85
    2-hexanone 11.56
    octyl acetate 6.91
    limonene 4.29
    1,2-dimethoxyethane 35.23
    ethyl orthosilicate 6.82
    tributyl phosphate 5.0
    diacetone alcohol 17.29
    N,N-dimethylaniline 11.3
    acrylonitrile 7.13
    aniline 15.89
    1,3-propanediol 16.51
    bromobenzene 9.9
    dibromomethane 11.81
    1,1,2,2-tetrachloroethane 23.54
    2-methyl-cyclohexyl acetate 10.52
    tetrabutyl urea 8.07
    diisobutyl methanol 4.32
    2-phenylethanol 20.59
    styrene 6.21
    dioctyl adipate 8.36
    dimethyl sulfate 13.89
    ethyl butyrate 8.53
    methyl lactate 12.0
    butyl lactate 17.01
    diethyl carbonate 5.02
    propanediol butyl ether 23.11
    triethyl orthoformate 10.17
    p-tert-butyltoluene 3.85
    methyl 4-tert-butylbenzoate 20.7
    morpholine 64.0
    tert-butylamine 6.68
    n-dodecanol 2.16
    dimethoxymethane 55.91
    ethylene carbonate 9.8
    cyrene 21.45
    2-ethoxyethyl acetate 26.28
    2-ethylhexyl acetate 11.0
    1,2,4-trichlorobenzene 13.7
    4-methylpyridine 24.77
    dibutyl ether 4.3
    2,6-dimethyl-4-heptanol 4.32
    DEF 20.3
    dimethyl isosorbide 35.79
    tetrachloroethylene 15.69
    eugenol 23.97
    triacetin 15.17
    span 80 19.48
    1,4-butanediol 5.81
    1,1-dichloroethane 10.68
    2-methyl-1-pentanol 10.36
    methyl formate 7.13
    2-methyl-1-butanol 15.14
    n-decane 0.31
    butyronitrile 7.95
    3,7-dimethyl-1-octanol 5.68
    1-chlorooctane 2.16
    1-chlorotetradecane 0.49
    n-nonane 0.26
    undecane 0.17
    tert-butylcyclohexane 0.62
    cyclooctane 0.37
    cyclopentanol 14.42
    tetrahydropyran 32.24
    tert-amyl methyl ether 8.97
    2,5,8-trioxanonane 30.08
    1-hexene 3.16
    2-isopropoxyethanol 18.37
    2,2,2-trifluoroethanol 3.67
    methyl butyrate 9.04

    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