Toralactone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    41743-74-2

    Molecular formula
    C15H12O5

    SMILES
    CC1=CC2=CC3=CC(=CC(=C3C(=C2C(=O)O1)O)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 57.07%
    Odorless 35.86%
    Burnt 31.15%
    Sweet 30.33%
    Woody 29.64%
    Spicy 27.41%
    Smoky 26.63%
    Animal 26.16%
    Medicinal 25.97%
    Dry 25.86%

     

    Flavor
    Bitter 86.05%
    Odorless 22.92%
    Parsley 21.27%
    Cedarleaf 20.97%
    Eugenol 20.8%
    Indole 20.57%
    Very strong 20.47%
    Sweet-like 20.3%
    Ripe apricot 20.29%
    Flat 20.27%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.48 (weak base)

    Molecular weight
    272.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    721°C

    Melting point expt.

    • 252 - 254 °C

    Flash point

    • 242.01 ˚C est.

  • Synonyms

    • Toralactone
    • 41743-74-2
    • 9,10-dihydroxy-7-methoxy-3-methyl-1H-benzo[g]isochromen-1-one
    • 9,10-dihydroxy-7-methoxy-3-methylbenzo[g]isochromen-1-one
    • CHEBI:78029
    • DTXSID20194576
    • 9,10-Dihydroxy-7-methoxy-3-methyl-1H-naphtho(2,3-c)pyran-1-one
    • 9,10-Dihydroxy-7-methoxy-3-methyl-1H-naphtho[2,3-c]pyran-1-one
    • 9,10-dihydroxy-7-methoxy-3-methylbenzo(g)isochromen-1-one
    • 9,10-dihydroxy-7-methoxy-3-methyl-1H-benzo(g)isochromen-1-one
    • RefChem:190441
    • DTXCID60117067
    • orb1680058
    • CHEMBL4457748
    • SCHEMBL31383372
    • AKOS040763649
    • EBC-618554
    • DA-68269
    • C17673
    • G17114
    • 1,10-Dihydroxy-7-methoxy-3-methylbenzo[g]isochromen-9-one
    • 9,10-Dihydroxy-7-methoxy-3-methyl-1H-naphtho[2,3-c]pyran-1-one, 9CI
    • 41743-74-2

  • Applications

    Toralactone may be used as an odorant component in perfumery to contribute specific fragrance notes. In cosmetics and personal care formulations, it may be used as a fragrance ingredient. In household products, it may serve as a fragrance additive for detergents, cleaners, and other cleaning products. In industrial manufacturing, toralactone may be evaluated as an intermediate or building block in organic synthesis to develop more complex odorants or related compounds. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.89
    methanol 5.96
    isopropanol 4.15
    water 0.06
    ethyl acetate 11.03
    n-propanol 4.87
    acetone 14.86
    n-butanol 4.67
    acetonitrile 10.63
    DMF 157.3
    toluene 0.78
    isobutanol 4.35
    1,4-dioxane 22.26
    methyl acetate 15.49
    THF 75.59
    2-butanone 11.99
    n-pentanol 4.57
    sec-butanol 3.48
    n-hexane 0.07
    ethylene glycol 21.67
    NMP 159.44
    cyclohexane 0.05
    DMSO 343.31
    n-butyl acetate 12.14
    n-octanol 4.14
    chloroform 2.15
    n-propyl acetate 14.73
    acetic acid 29.75
    dichloromethane 3.4
    cyclohexanone 23.29
    propylene glycol 20.85
    isopropyl acetate 9.33
    DMAc 128.73
    2-ethoxyethanol 41.46
    isopentanol 5.9
    n-heptane 0.14
    ethyl formate 11.22
    1,2-dichloroethane 4.56
    n-hexanol 4.15
    2-methoxyethanol 102.62
    isobutyl acetate 10.12
    tetrachloromethane 0.33
    n-pentyl acetate 9.51
    transcutol 153.1
    n-heptanol 4.31
    ethylbenzene 0.71
    MIBK 10.02
    2-propoxyethanol 58.45
    tert-butanol 8.73
    MTBE 3.15
    2-butoxyethanol 22.73
    propionic acid 19.01
    o-xylene 1.03
    formic acid 28.76
    diethyl ether 2.45
    m-xylene 1.31
    p-xylene 1.2
    chlorobenzene 1.75
    dimethyl carbonate 32.89
    n-octane 0.08
    formamide 53.59
    cyclopentanone 53.87
    2-pentanone 10.93
    anisole 5.87
    cyclopentyl methyl ether 13.98
    gamma-butyrolactone 109.04
    1-methoxy-2-propanol 79.29
    pyridine 9.43
    3-pentanone 7.46
    furfural 64.62
    n-dodecane 0.17
    diethylene glycol 96.81
    diisopropyl ether 1.12
    tert-amyl alcohol 5.84
    acetylacetone 33.79
    n-hexadecane 0.2
    acetophenone 12.19
    methyl propionate 21.82
    isopentyl acetate 12.02
    trichloroethylene 9.18
    n-nonanol 4.61
    cyclohexanol 5.33
    benzyl alcohol 9.48
    2-ethylhexanol 3.93
    isooctanol 4.22
    dipropyl ether 5.08
    1,2-dichlorobenzene 2.8
    ethyl lactate 25.27
    propylene carbonate 40.9
    n-methylformamide 50.92
    2-pentanol 3.09
    n-pentane 0.05
    1-propoxy-2-propanol 39.64
    1-methoxy-2-propyl acetate 38.73
    2-(2-methoxypropoxy) propanol 36.55
    mesitylene 0.97
    ε-caprolactone 30.41
    p-cymene 1.75
    epichlorohydrin 70.83
    1,1,1-trichloroethane 2.33
    2-aminoethanol 19.65
    morpholine-4-carbaldehyde 143.53
    sulfolane 199.01
    2,2,4-trimethylpentane 0.11
    2-methyltetrahydrofuran 18.46
    n-hexyl acetate 11.55
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 47.25
    sec-butyl acetate 8.22
    tert-butyl acetate 13.98
    decalin 0.16
    glycerin 82.04
    diglyme 81.57
    acrylic acid 29.4
    isopropyl myristate 5.83
    n-butyric acid 15.97
    acetyl acetate 11.41
    di(2-ethylhexyl) phthalate 9.76
    ethyl propionate 13.72
    nitromethane 96.66
    1,2-diethoxyethane 20.22
    benzonitrile 8.87
    trioctyl phosphate 7.37
    1-bromopropane 1.24
    gamma-valerolactone 113.85
    n-decanol 3.66
    triethyl phosphate 11.5
    4-methyl-2-pentanol 3.22
    propionitrile 7.27
    vinylene carbonate 31.97
    1,1,2-trichlorotrifluoroethane 72.43
    DMS 26.25
    cumene 0.87
    2-octanol 3.03
    2-hexanone 10.91
    octyl acetate 7.81
    limonene 2.23
    1,2-dimethoxyethane 58.09
    ethyl orthosilicate 9.4
    tributyl phosphate 9.13
    diacetone alcohol 37.29
    N,N-dimethylaniline 5.57
    acrylonitrile 17.0
    aniline 4.9
    1,3-propanediol 27.17
    bromobenzene 1.26
    dibromomethane 1.6
    1,1,2,2-tetrachloroethane 8.41
    2-methyl-cyclohexyl acetate 12.98
    tetrabutyl urea 13.79
    diisobutyl methanol 3.66
    2-phenylethanol 9.75
    styrene 0.73
    dioctyl adipate 12.51
    dimethyl sulfate 83.75
    ethyl butyrate 11.71
    methyl lactate 55.14
    butyl lactate 18.78
    diethyl carbonate 10.66
    propanediol butyl ether 28.45
    triethyl orthoformate 12.25
    p-tert-butyltoluene 1.84
    methyl 4-tert-butylbenzoate 20.55
    morpholine 38.32
    tert-butylamine 2.42
    n-dodecanol 2.88
    dimethoxymethane 76.92
    ethylene carbonate 25.17
    cyrene 49.71
    2-ethoxyethyl acetate 25.09
    2-ethylhexyl acetate 8.97
    1,2,4-trichlorobenzene 5.01
    4-methylpyridine 9.58
    dibutyl ether 4.31
    2,6-dimethyl-4-heptanol 3.66
    DEF 26.31
    dimethyl isosorbide 74.36
    tetrachloroethylene 3.76
    eugenol 24.22
    triacetin 28.39
    span 80 24.16
    1,4-butanediol 12.09
    1,1-dichloroethane 2.14
    2-methyl-1-pentanol 4.99
    methyl formate 43.74
    2-methyl-1-butanol 4.97
    n-decane 0.23
    butyronitrile 5.99
    3,7-dimethyl-1-octanol 4.72
    1-chlorooctane 1.31
    1-chlorotetradecane 0.82
    n-nonane 0.16
    undecane 0.2
    tert-butylcyclohexane 0.17
    cyclooctane 0.04
    cyclopentanol 10.75
    tetrahydropyran 6.35
    tert-amyl methyl ether 4.02
    2,5,8-trioxanonane 64.32
    1-hexene 0.38
    2-isopropoxyethanol 25.69
    2,2,2-trifluoroethanol 22.66
    methyl butyrate 17.67

    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