Methyl Angolensate

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  • Identifiers

    CAS number
    2629-14-3

    Molecular formula
    C27H34O7

    SMILES
    C[C@@]12CC[C@H]3C(=C)[C@]1(CC(=O)O[C@H]2C4=COC=C4)O[C@@H]5[C@]3([C@H](C(C(=O)C5)(C)C)CC(=O)OC)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 46.81%
    Mint 34.49%
    Sweet 32.07%
    Herbal 32.04%
    Spicy 30.14%
    Tobacco 29.58%
    Green 28.4%
    Camphoreous 26.46%
    Nutty 24.47%
    Fresh 23.83%

     

    Flavor
    Bitter 85.46%
    Cedarleaf 22.39%
    Ripe apricot 21.16%
    Red fruit 20.67%
    Parsley 20.52%
    Broom 19.84%
    Lovage 19.65%
    Genet 19.57%
    Heather 19.55%
    Thujone 19.48%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    5.93 (weak acid)

    Molecular weight
    470.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    459°C

    Flash point

    • 214.37 ˚C est.

  • Synonyms

    • methylangolensate
    • METHYL ANGOLENSATE
    • methyl 2-[(1S,3S,7R,8R,9R,12S,13S)-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]acetate
    • methyl 2-((1S,3S,7R,8R,9R,12S,13S)-13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo(7.7.1.01,12.03,8)heptadecan-7-yl)acetate
    • RefChem:925706
    • methyl 2-(13-(furan-3-yl)-6,6,8,12-tetramethyl-17-methylidene-5,15-dioxo-2,14-dioxatetracyclo(7.7.1.01,12.03,8)heptadecan-7-yl)acetate
    • 2629-14-3
    • Angolensic acid methyl ester
    • CHEMBL483006
    • SCHEMBL29534519
    • NCGC00384921-01
    • NCGC00384921-01_C27H34O7_Methyl [(1S,3S,7R,8R,9R,12S,13S)-13-(3-furyl)-6,6,8,12-tetramethyl-17-methylene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.0~1,12~.0~3,8~]heptadec-7-yl]acetate
    • 2629-14-3

  • Applications

    Methyl Angolensate is typically regarded as a chemical intermediate and a scaffold for the synthesis of limonoid derivatives, commonly used in research and development of natural product chemistry. In fragrance and cosmetics, it may be explored as a natural aroma component or backbone/fixative for complex formulations; in industrial manufacturing, it can serve as an intermediate for the synthesis of functionally diverse compounds; in pharmaceutical research and chemical biology, it is viewed as a scaffold for designing potential drug leads; and in agriculture, it may be evaluated for biological activity and the development of bioactive derivatives within appropriate regulatory frameworks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.28
    methanol 23.54
    isopropanol 6.16
    water 0.04
    ethyl acetate 19.87
    n-propanol 11.21
    acetone 58.21
    n-butanol 6.16
    acetonitrile 38.24
    DMF 165.5
    toluene 10.95
    isobutanol 6.28
    1,4-dioxane 63.87
    methyl acetate 31.69
    THF 128.78
    2-butanone 36.7
    n-pentanol 5.87
    sec-butanol 3.59
    n-hexane 0.07
    ethylene glycol 5.74
    NMP 205.19
    cyclohexane 0.18
    DMSO 118.68
    n-butyl acetate 8.02
    n-octanol 1.46
    chloroform 143.76
    n-propyl acetate 13.37
    acetic acid 85.16
    dichloromethane 100.58
    cyclohexanone 59.32
    propylene glycol 6.12
    isopropyl acetate 10.84
    DMAc 167.04
    2-ethoxyethanol 32.56
    isopentanol 4.71
    n-heptane 0.04
    ethyl formate 22.25
    1,2-dichloroethane 37.48
    n-hexanol 3.35
    2-methoxyethanol 56.07
    isobutyl acetate 8.65
    tetrachloromethane 5.84
    n-pentyl acetate 7.22
    transcutol 27.98
    n-heptanol 2.5
    ethylbenzene 3.29
    MIBK 11.16
    2-propoxyethanol 36.91
    tert-butanol 4.16
    MTBE 2.36
    2-butoxyethanol 17.65
    propionic acid 24.34
    o-xylene 4.35
    formic acid 41.06
    diethyl ether 4.7
    m-xylene 4.86
    p-xylene 5.14
    chlorobenzene 24.87
    dimethyl carbonate 36.62
    n-octane 0.02
    formamide 61.82
    cyclopentanone 124.99
    2-pentanone 21.39
    anisole 15.89
    cyclopentyl methyl ether 15.52
    gamma-butyrolactone 156.48
    1-methoxy-2-propanol 35.21
    pyridine 97.52
    3-pentanone 15.84
    furfural 136.64
    n-dodecane 0.03
    diethylene glycol 35.15
    diisopropyl ether 0.8
    tert-amyl alcohol 2.76
    acetylacetone 45.39
    n-hexadecane 0.03
    acetophenone 26.61
    methyl propionate 29.24
    isopentyl acetate 7.8
    trichloroethylene 152.05
    n-nonanol 1.71
    cyclohexanol 4.98
    benzyl alcohol 23.52
    2-ethylhexanol 1.73
    isooctanol 2.21
    dipropyl ether 2.15
    1,2-dichlorobenzene 22.32
    ethyl lactate 13.27
    propylene carbonate 52.18
    n-methylformamide 85.14
    2-pentanol 1.94
    n-pentane 0.06
    1-propoxy-2-propanol 15.4
    1-methoxy-2-propyl acetate 20.81
    2-(2-methoxypropoxy) propanol 14.91
    mesitylene 1.97
    ε-caprolactone 48.18
    p-cymene 1.36
    epichlorohydrin 156.16
    1,1,1-trichloroethane 29.88
    2-aminoethanol 12.57
    morpholine-4-carbaldehyde 159.36
    sulfolane 160.26
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 28.1
    n-hexyl acetate 6.93
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 16.04
    sec-butyl acetate 7.2
    tert-butyl acetate 9.71
    decalin 0.14
    glycerin 17.33
    diglyme 39.11
    acrylic acid 37.58
    isopropyl myristate 2.14
    n-butyric acid 26.36
    acetyl acetate 26.36
    di(2-ethylhexyl) phthalate 7.25
    ethyl propionate 11.29
    nitromethane 182.35
    1,2-diethoxyethane 6.24
    benzonitrile 28.45
    trioctyl phosphate 3.4
    1-bromopropane 7.12
    gamma-valerolactone 199.46
    n-decanol 1.0
    triethyl phosphate 5.77
    4-methyl-2-pentanol 1.6
    propionitrile 21.94
    vinylene carbonate 66.97
    1,1,2-trichlorotrifluoroethane 110.99
    DMS 14.5
    cumene 1.83
    2-octanol 1.02
    2-hexanone 14.4
    octyl acetate 3.43
    limonene 1.43
    1,2-dimethoxyethane 48.67
    ethyl orthosilicate 4.62
    tributyl phosphate 3.55
    diacetone alcohol 19.23
    N,N-dimethylaniline 9.55
    acrylonitrile 50.73
    aniline 21.23
    1,3-propanediol 18.05
    bromobenzene 23.37
    dibromomethane 38.97
    1,1,2,2-tetrachloroethane 88.41
    2-methyl-cyclohexyl acetate 9.29
    tetrabutyl urea 6.02
    diisobutyl methanol 0.9
    2-phenylethanol 17.29
    styrene 5.09
    dioctyl adipate 6.79
    dimethyl sulfate 65.83
    ethyl butyrate 7.07
    methyl lactate 29.28
    butyl lactate 10.03
    diethyl carbonate 6.46
    propanediol butyl ether 12.43
    triethyl orthoformate 6.06
    p-tert-butyltoluene 1.19
    methyl 4-tert-butylbenzoate 16.49
    morpholine 70.93
    tert-butylamine 1.02
    n-dodecanol 0.6
    dimethoxymethane 74.72
    ethylene carbonate 45.73
    cyrene 47.61
    2-ethoxyethyl acetate 17.29
    2-ethylhexyl acetate 5.82
    1,2,4-trichlorobenzene 34.39
    4-methylpyridine 61.95
    dibutyl ether 1.05
    2,6-dimethyl-4-heptanol 0.9
    DEF 29.91
    dimethyl isosorbide 37.3
    tetrachloroethylene 46.46
    eugenol 20.47
    triacetin 15.96
    span 80 12.12
    1,4-butanediol 8.69
    1,1-dichloroethane 31.15
    2-methyl-1-pentanol 4.49
    methyl formate 72.28
    2-methyl-1-butanol 4.44
    n-decane 0.05
    butyronitrile 14.23
    3,7-dimethyl-1-octanol 1.53
    1-chlorooctane 0.55
    1-chlorotetradecane 0.18
    n-nonane 0.04
    undecane 0.04
    tert-butylcyclohexane 0.1
    cyclooctane 0.06
    cyclopentanol 12.44
    tetrahydropyran 21.75
    tert-amyl methyl ether 2.12
    2,5,8-trioxanonane 25.78
    1-hexene 0.61
    2-isopropoxyethanol 17.23
    2,2,2-trifluoroethanol 33.27
    methyl butyrate 16.45

    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