(-)-Toddanol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    77715-99-2

    Molecular formula
    C16H18O5

    SMILES
    CC(=C)[C@H](CC1=C(C=C2C(=C1OC)C=CC(=O)O2)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 45.41%
    Vanilla 32.74%
    Fruity 29.76%
    Spicy 27.09%
    Powdery 27.01%
    Woody 26.33%
    Creamy 25.68%
    Floral 25.63%
    Dry 25.55%
    Odorless 25.14%

     

    Flavor
    Bitter 69.07%
    Odorless 26.4%
    Bland 23.43%
    Parsley 19.72%
    Cedarleaf 19.15%
    Sweet-like 18.72%
    Heather 18.62%
    Lovage 18.6%
    Ethyl benzoate 18.45%
    Broom 18.43%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.59 (neutral)

    Molecular weight
    290.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    474°C

    Flash point

    • 180.6 ˚C est.

  • Synonyms

    • (-)-Toddanol
    • 77715-99-2
    • Toddanol
    • 6-[(2S)-2-hydroxy-3-methylbut-3-enyl]-5,7-dimethoxychromen-2-one
    • orb1297051
    • HY-N10783
    • AKOS040763017
    • EBC-617477
    • FS-7776
    • DA-78524
    • CS-0636032
    • 6-[(2S)-2-hydroxy-3-methyl-but-3-enyl]-5,7-dimethoxy-chromen-2-one
    • 6-[(2S)-2-hydroxy-3-methylbut-3-en-1-yl]-5,7-dimethoxy-2H-chromen-2-one
    • 77715-99-2

  • Applications

    (-)-Toddanol (CAS number: 77715-99-2) is typically used as an enantioenriched building block in organic synthesis, acting as a precursor or intermediate for the preparation of chiral fragrance and flavor compounds. It may also serve as a starting material in pharmaceutical development. In cosmetics and personal care, it can be employed as a fragrance ingredient or intermediate. In industrial manufacturing, it is used as a specialty intermediate for various syntheses, with potential applications in the polymers, plastics, and coatings sectors. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.65
    methanol 19.09
    isopropanol 10.22
    water 0.02
    ethyl acetate 24.71
    n-propanol 12.59
    acetone 43.3
    n-butanol 9.88
    acetonitrile 22.95
    DMF 158.57
    toluene 5.15
    isobutanol 9.58
    1,4-dioxane 59.25
    methyl acetate 41.16
    THF 163.2
    2-butanone 41.53
    n-pentanol 7.55
    sec-butanol 8.98
    n-hexane 0.06
    ethylene glycol 6.53
    NMP 126.56
    cyclohexane 0.23
    DMSO 158.71
    n-butyl acetate 14.4
    n-octanol 3.07
    chloroform 44.95
    n-propyl acetate 18.53
    acetic acid 71.31
    dichloromethane 62.18
    cyclohexanone 64.0
    propylene glycol 5.96
    isopropyl acetate 14.21
    DMAc 218.69
    2-ethoxyethanol 39.04
    isopentanol 11.91
    n-heptane 0.08
    ethyl formate 19.86
    1,2-dichloroethane 42.75
    n-hexanol 6.37
    2-methoxyethanol 73.41
    isobutyl acetate 12.22
    tetrachloromethane 2.16
    n-pentyl acetate 9.46
    transcutol 93.07
    n-heptanol 4.48
    ethylbenzene 3.22
    MIBK 14.18
    2-propoxyethanol 38.24
    tert-butanol 17.26
    MTBE 9.74
    2-butoxyethanol 21.98
    propionic acid 23.43
    o-xylene 4.41
    formic acid 27.31
    diethyl ether 6.7
    m-xylene 3.58
    p-xylene 5.88
    chlorobenzene 12.75
    dimethyl carbonate 28.46
    n-octane 0.06
    formamide 52.62
    cyclopentanone 102.07
    2-pentanone 22.05
    anisole 18.2
    cyclopentyl methyl ether 24.94
    gamma-butyrolactone 113.56
    1-methoxy-2-propanol 37.67
    pyridine 68.59
    3-pentanone 18.54
    furfural 98.46
    n-dodecane 0.1
    diethylene glycol 38.04
    diisopropyl ether 1.44
    tert-amyl alcohol 12.66
    acetylacetone 43.43
    n-hexadecane 0.12
    acetophenone 26.67
    methyl propionate 28.54
    isopentyl acetate 16.88
    trichloroethylene 102.54
    n-nonanol 3.63
    cyclohexanol 11.57
    benzyl alcohol 22.59
    2-ethylhexanol 5.04
    isooctanol 4.37
    dipropyl ether 4.78
    1,2-dichlorobenzene 14.08
    ethyl lactate 13.67
    propylene carbonate 43.52
    n-methylformamide 50.22
    2-pentanol 4.56
    n-pentane 0.05
    1-propoxy-2-propanol 20.3
    1-methoxy-2-propyl acetate 27.41
    2-(2-methoxypropoxy) propanol 26.69
    mesitylene 1.94
    ε-caprolactone 52.61
    p-cymene 3.12
    epichlorohydrin 150.64
    1,1,1-trichloroethane 17.19
    2-aminoethanol 12.32
    morpholine-4-carbaldehyde 129.67
    sulfolane 128.04
    2,2,4-trimethylpentane 0.16
    2-methyltetrahydrofuran 55.05
    n-hexyl acetate 11.39
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 31.98
    sec-butyl acetate 11.74
    tert-butyl acetate 17.11
    decalin 0.3
    glycerin 19.41
    diglyme 79.89
    acrylic acid 30.34
    isopropyl myristate 4.77
    n-butyric acid 26.85
    acetyl acetate 22.41
    di(2-ethylhexyl) phthalate 9.71
    ethyl propionate 16.81
    nitromethane 135.35
    1,2-diethoxyethane 16.99
    benzonitrile 21.45
    trioctyl phosphate 5.37
    1-bromopropane 7.2
    gamma-valerolactone 137.77
    n-decanol 2.67
    triethyl phosphate 12.08
    4-methyl-2-pentanol 3.96
    propionitrile 18.48
    vinylene carbonate 42.93
    1,1,2-trichlorotrifluoroethane 96.94
    DMS 21.34
    cumene 2.58
    2-octanol 2.31
    2-hexanone 17.77
    octyl acetate 6.46
    limonene 3.79
    1,2-dimethoxyethane 74.3
    ethyl orthosilicate 10.8
    tributyl phosphate 7.39
    diacetone alcohol 30.47
    N,N-dimethylaniline 13.26
    acrylonitrile 31.26
    aniline 19.2
    1,3-propanediol 23.86
    bromobenzene 9.85
    dibromomethane 20.2
    1,1,2,2-tetrachloroethane 66.28
    2-methyl-cyclohexyl acetate 17.13
    tetrabutyl urea 11.41
    diisobutyl methanol 3.43
    2-phenylethanol 19.04
    styrene 4.06
    dioctyl adipate 11.57
    dimethyl sulfate 54.56
    ethyl butyrate 13.87
    methyl lactate 21.12
    butyl lactate 11.56
    diethyl carbonate 12.32
    propanediol butyl ether 14.89
    triethyl orthoformate 12.32
    p-tert-butyltoluene 2.67
    methyl 4-tert-butylbenzoate 21.86
    morpholine 86.41
    tert-butylamine 4.88
    n-dodecanol 1.92
    dimethoxymethane 72.79
    ethylene carbonate 34.35
    cyrene 38.57
    2-ethoxyethyl acetate 22.3
    2-ethylhexyl acetate 12.68
    1,2,4-trichlorobenzene 21.86
    4-methylpyridine 49.63
    dibutyl ether 3.69
    2,6-dimethyl-4-heptanol 3.43
    DEF 41.64
    dimethyl isosorbide 53.77
    tetrachloroethylene 36.54
    eugenol 23.18
    triacetin 20.99
    span 80 17.59
    1,4-butanediol 7.48
    1,1-dichloroethane 18.79
    2-methyl-1-pentanol 9.9
    methyl formate 47.85
    2-methyl-1-butanol 10.29
    n-decane 0.15
    butyronitrile 14.01
    3,7-dimethyl-1-octanol 4.36
    1-chlorooctane 1.3
    1-chlorotetradecane 0.62
    n-nonane 0.1
    undecane 0.12
    tert-butylcyclohexane 0.26
    cyclooctane 0.06
    cyclopentanol 17.96
    tetrahydropyran 32.13
    tert-amyl methyl ether 7.79
    2,5,8-trioxanonane 52.6
    1-hexene 0.65
    2-isopropoxyethanol 23.84
    2,2,2-trifluoroethanol 26.83
    methyl butyrate 24.8

    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