Anabsin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    72542-39-3

    Molecular formula
    C30H40O7

    SMILES
    C[C@H]1[C@@H]2CC[C@]([C@@H]3[C@H]4[C@@H]5[C@H]6[C@@]7(CC[C@H]8[C@@H](C(=O)O[C@@H]8[C@@]6([C@H]4C(=C3[C@H]2OC1=O)C)[C@]([C@H]5O)(O7)C)C)C)(C)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 48.51%
    Woody 37.62%
    Spicy 34.62%
    Sweet 25.6%
    Cooling 19.82%
    Mint 19.45%
    Nutty 18.44%
    Lactonic 18.03%
    Balsamic 16.96%
    Vanilla 16.88%

     

    Flavor
    Bitter 86.88%
    Fatty 26.08%
    Cedarleaf 22.55%
    Sweet-like 21.85%
    Ripe apricot 19.46%
    Red fruit 19.11%
    Lovage 19.08%
    Cereal 18.9%
    Patchouli 18.83%
    Alkaline 18.77%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    4.33 (weak acid)

    Molecular weight
    512.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    377°C

    Flash point

    • 142.06 ˚C est.

  • Synonyms

    • Anabsin
    • 72542-39-3
    • (1S,2R,5S,8S,9S,12S,13R,14R,15R,16S,17R,19S,22S,23S,26S,27R)-12,16-dihydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo[13.11.1.01,17.02,14.04,13.05,9.019,27.022,26]heptacos-3-ene-7,24-dione
    • (1S,2R,5S,8S,9S,12S,13R,14R,15R,16S,17R,19S,22S,23S,26S,27R)-12,16-dihydroxy-3,8,12,17,19,23-hexamethyl-6,18,25-trioxaoctacyclo(13.11.1.01,17.02,14.04,13.05,9.019,27.022,26)heptacos-3-ene-7,24-dione
    • RefChem:112474
    • CHEMBL501704
    • CHEBI:183524
    • DTXSID701383240
    • 72542-39-3

  • Applications

    Anabsin (CAS 72542-39-3) may be used as an odorant in perfumery, as an ingredient in cosmetics and personal care products; it may serve as a solvent or processing aid in industrial manufacturing; it could be considered for use in coatings and inks as an additive or processing solvent, and in the polymer/plastics sector as a specialty additive or processing aid.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 45.67
    methanol 70.11
    isopropanol 34.61
    water 0.49
    ethyl acetate 43.67
    n-propanol 52.6
    acetone 75.25
    n-butanol 45.2
    acetonitrile 51.11
    DMF 228.94
    toluene 11.8
    isobutanol 30.5
    1,4-dioxane 88.54
    methyl acetate 50.08
    THF 154.29
    2-butanone 64.27
    n-pentanol 32.26
    sec-butanol 23.66
    n-hexane 0.44
    ethylene glycol 19.46
    NMP 177.67
    cyclohexane 0.75
    DMSO 191.18
    n-butyl acetate 33.59
    n-octanol 10.84
    chloroform 112.54
    n-propyl acetate 32.34
    acetic acid 144.75
    dichloromethane 77.89
    cyclohexanone 93.01
    propylene glycol 24.89
    isopropyl acetate 29.82
    DMAc 158.28
    2-ethoxyethanol 80.9
    isopentanol 28.1
    n-heptane 0.34
    ethyl formate 49.47
    1,2-dichloroethane 40.15
    n-hexanol 26.56
    2-methoxyethanol 141.59
    isobutyl acetate 23.84
    tetrachloromethane 13.67
    n-pentyl acetate 31.8
    transcutol 65.19
    n-heptanol 17.88
    ethylbenzene 5.62
    MIBK 27.7
    2-propoxyethanol 108.52
    tert-butanol 20.32
    MTBE 10.88
    2-butoxyethanol 67.89
    propionic acid 60.27
    o-xylene 5.97
    formic acid 83.03
    diethyl ether 20.72
    m-xylene 6.34
    p-xylene 7.55
    chlorobenzene 25.81
    dimethyl carbonate 48.5
    n-octane 0.18
    formamide 97.94
    cyclopentanone 140.54
    2-pentanone 49.61
    anisole 22.35
    cyclopentyl methyl ether 30.83
    gamma-butyrolactone 168.44
    1-methoxy-2-propanol 103.58
    pyridine 88.08
    3-pentanone 35.4
    furfural 151.1
    n-dodecane 0.17
    diethylene glycol 85.22
    diisopropyl ether 3.91
    tert-amyl alcohol 16.09
    acetylacetone 65.17
    n-hexadecane 0.2
    acetophenone 34.06
    methyl propionate 51.31
    isopentyl acetate 30.09
    trichloroethylene 102.11
    n-nonanol 11.95
    cyclohexanol 22.97
    benzyl alcohol 36.57
    2-ethylhexanol 11.06
    isooctanol 13.58
    dipropyl ether 9.81
    1,2-dichlorobenzene 25.82
    ethyl lactate 31.13
    propylene carbonate 78.59
    n-methylformamide 130.38
    2-pentanol 16.72
    n-pentane 0.5
    1-propoxy-2-propanol 53.15
    1-methoxy-2-propyl acetate 51.72
    2-(2-methoxypropoxy) propanol 39.44
    mesitylene 3.32
    ε-caprolactone 95.06
    p-cymene 4.09
    epichlorohydrin 154.17
    1,1,1-trichloroethane 33.24
    2-aminoethanol 42.31
    morpholine-4-carbaldehyde 202.07
    sulfolane 182.49
    2,2,4-trimethylpentane 0.31
    2-methyltetrahydrofuran 50.47
    n-hexyl acetate 31.62
    isooctane 0.22
    2-(2-butoxyethoxy)ethanol 51.59
    sec-butyl acetate 18.93
    tert-butyl acetate 24.57
    decalin 0.54
    glycerin 57.76
    diglyme 91.11
    acrylic acid 75.29
    isopropyl myristate 9.38
    n-butyric acid 81.94
    acetyl acetate 42.67
    di(2-ethylhexyl) phthalate 21.28
    ethyl propionate 28.78
    nitromethane 221.38
    1,2-diethoxyethane 19.4
    benzonitrile 39.68
    trioctyl phosphate 14.24
    1-bromopropane 16.87
    gamma-valerolactone 276.21
    n-decanol 6.95
    triethyl phosphate 14.88
    4-methyl-2-pentanol 9.9
    propionitrile 45.55
    vinylene carbonate 97.27
    1,1,2-trichlorotrifluoroethane 144.82
    DMS 35.66
    cumene 3.85
    2-octanol 8.33
    2-hexanone 33.2
    octyl acetate 15.96
    limonene 5.02
    1,2-dimethoxyethane 89.31
    ethyl orthosilicate 12.96
    tributyl phosphate 13.88
    diacetone alcohol 40.4
    N,N-dimethylaniline 13.86
    acrylonitrile 71.09
    aniline 29.51
    1,3-propanediol 70.03
    bromobenzene 21.44
    dibromomethane 42.44
    1,1,2,2-tetrachloroethane 71.08
    2-methyl-cyclohexyl acetate 24.95
    tetrabutyl urea 19.76
    diisobutyl methanol 4.68
    2-phenylethanol 39.4
    styrene 7.33
    dioctyl adipate 20.73
    dimethyl sulfate 78.94
    ethyl butyrate 23.05
    methyl lactate 58.84
    butyl lactate 34.94
    diethyl carbonate 17.98
    propanediol butyl ether 44.8
    triethyl orthoformate 18.28
    p-tert-butyltoluene 3.44
    methyl 4-tert-butylbenzoate 36.77
    morpholine 113.21
    tert-butylamine 7.03
    n-dodecanol 4.05
    dimethoxymethane 122.43
    ethylene carbonate 78.03
    cyrene 66.18
    2-ethoxyethyl acetate 50.5
    2-ethylhexyl acetate 22.46
    1,2,4-trichlorobenzene 37.46
    4-methylpyridine 60.87
    dibutyl ether 5.58
    2,6-dimethyl-4-heptanol 4.68
    DEF 58.79
    dimethyl isosorbide 66.05
    tetrachloroethylene 49.96
    eugenol 46.06
    triacetin 40.39
    span 80 35.43
    1,4-butanediol 31.38
    1,1-dichloroethane 34.62
    2-methyl-1-pentanol 21.29
    methyl formate 92.89
    2-methyl-1-butanol 27.32
    n-decane 0.38
    butyronitrile 39.12
    3,7-dimethyl-1-octanol 8.29
    1-chlorooctane 3.23
    1-chlorotetradecane 0.99
    n-nonane 0.27
    undecane 0.24
    tert-butylcyclohexane 0.41
    cyclooctane 0.25
    cyclopentanol 37.36
    tetrahydropyran 47.18
    tert-amyl methyl ether 9.54
    2,5,8-trioxanonane 54.61
    1-hexene 3.08
    2-isopropoxyethanol 45.42
    2,2,2-trifluoroethanol 66.14
    methyl butyrate 39.21

    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