Tanshinaldehyde

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  • Identifiers

    CAS number
    142694-58-4

    Molecular formula
    C19H18O4

    SMILES
    CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C=O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 41.47%
    Hay 26.67%
    Caramellic 26.02%
    Coumarinic 25.87%
    Floral 25.35%
    Powdery 25.09%
    Green 24.33%
    Woody 23.7%
    Tobacco 23.37%
    Spicy 22.76%

     

    Flavor
    Bitter 84.46%
    Lovage 20.56%
    Cedarleaf 19.08%
    Fenugreek 19.02%
    Ripe apricot 19.0%
    Parsley 18.96%
    Red fruit 18.96%
    Nitrile 18.75%
    Basil 18.63%
    Cereal 18.47%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    5.3 (weak acid)

    Molecular weight
    310.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    626°C

    Flash point

    • 238.64 ˚C est.

  • Synonyms

    • Tanshinaldehyde
    • 142694-58-4
    • 1,6-dimethyl-10,11-dioxo-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-6-carbaldehyde
    • 1,6-dimethyl-10,11-dioxo-2,7,8,9-tetrahydro-1H-naphtho(1,2-g)(1)benzofuran-6-carbaldehyde
    • RefChem:187390
    • DTXSID40931602
    • 1,2,6,7,8,9,10,11-Octahydro-1,6-dimethyl-10,11-dioxophenanthro(1,2-b)furan-6-carboxaldehyde
    • 1,6-Dimethyl-10,11-dioxo-1,2,6,7,8,9,10,11-octahydrophenanthro[1,2-b]furan-6-carbaldehyde
    • Phenanthro(1,2-b)furan-6-carboxaldehyde, 1,2,6,7,8,9,10,11-octahydro-1,6-dimethyl-10,11-dioxo-
    • 142694-58-4

  • Applications

    Tanshinaldehyde (CAS 142694-58-4) is used as a fragrance ingredient and aroma component in perfumery and cosmetics; it also serves as a chemical intermediate in the synthesis of other aroma compounds for the fragrance industry; it may be evaluated for flavor applications in food and for developing scents in the food sector; it is employed in household cleaning products to enhance fragrance; it is also studied as a raw material for research and development of aroma compounds in industrial contexts; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.3
    methanol 3.01
    isopropanol 1.79
    water 0.01
    ethyl acetate 18.42
    n-propanol 2.26
    acetone 20.93
    n-butanol 3.42
    acetonitrile 8.06
    DMF 39.22
    toluene 22.3
    isobutanol 2.08
    1,4-dioxane 26.82
    methyl acetate 17.8
    THF 38.56
    2-butanone 20.98
    n-pentanol 2.43
    sec-butanol 1.3
    n-hexane 0.08
    ethylene glycol 1.34
    NMP 61.86
    cyclohexane 0.36
    DMSO 16.77
    n-butyl acetate 21.15
    n-octanol 1.44
    chloroform 60.36
    n-propyl acetate 14.93
    acetic acid 13.99
    dichloromethane 61.09
    cyclohexanone 53.5
    propylene glycol 0.81
    isopropyl acetate 20.65
    DMAc 57.26
    2-ethoxyethanol 10.88
    isopentanol 5.7
    n-heptane 0.09
    ethyl formate 12.5
    1,2-dichloroethane 47.8
    n-hexanol 4.21
    2-methoxyethanol 19.95
    isobutyl acetate 15.2
    tetrachloromethane 4.99
    n-pentyl acetate 15.22
    transcutol 40.23
    n-heptanol 3.34
    ethylbenzene 6.94
    MIBK 21.42
    2-propoxyethanol 24.85
    tert-butanol 3.64
    MTBE 3.32
    2-butoxyethanol 16.53
    propionic acid 6.48
    o-xylene 11.07
    formic acid 6.65
    diethyl ether 4.32
    m-xylene 13.26
    p-xylene 10.87
    chlorobenzene 36.94
    dimethyl carbonate 24.17
    n-octane 0.08
    formamide 12.44
    cyclopentanone 56.71
    2-pentanone 20.24
    anisole 18.51
    cyclopentyl methyl ether 13.56
    gamma-butyrolactone 58.67
    1-methoxy-2-propanol 13.19
    pyridine 52.41
    3-pentanone 15.81
    furfural 79.46
    n-dodecane 0.12
    diethylene glycol 23.37
    diisopropyl ether 2.08
    tert-amyl alcohol 2.33
    acetylacetone 46.22
    n-hexadecane 0.15
    acetophenone 32.16
    methyl propionate 17.75
    isopentyl acetate 27.36
    trichloroethylene 125.47
    n-nonanol 2.03
    cyclohexanol 5.08
    benzyl alcohol 19.0
    2-ethylhexanol 4.2
    isooctanol 3.73
    dipropyl ether 3.0
    1,2-dichlorobenzene 39.42
    ethyl lactate 11.13
    propylene carbonate 39.54
    n-methylformamide 15.1
    2-pentanol 1.82
    n-pentane 0.09
    1-propoxy-2-propanol 13.8
    1-methoxy-2-propyl acetate 38.53
    2-(2-methoxypropoxy) propanol 20.81
    mesitylene 7.14
    ε-caprolactone 41.93
    p-cymene 6.13
    epichlorohydrin 86.75
    1,1,1-trichloroethane 34.18
    2-aminoethanol 2.03
    morpholine-4-carbaldehyde 68.92
    sulfolane 62.16
    2,2,4-trimethylpentane 0.15
    2-methyltetrahydrofuran 16.67
    n-hexyl acetate 12.38
    isooctane 0.18
    2-(2-butoxyethoxy)ethanol 20.73
    sec-butyl acetate 13.88
    tert-butyl acetate 25.67
    decalin 0.48
    glycerin 4.72
    diglyme 46.82
    acrylic acid 11.73
    isopropyl myristate 7.25
    n-butyric acid 15.73
    acetyl acetate 25.83
    di(2-ethylhexyl) phthalate 13.79
    ethyl propionate 14.57
    nitromethane 38.53
    1,2-diethoxyethane 13.73
    benzonitrile 37.44
    trioctyl phosphate 7.65
    1-bromopropane 8.37
    gamma-valerolactone 92.68
    n-decanol 1.62
    triethyl phosphate 13.86
    4-methyl-2-pentanol 3.27
    propionitrile 10.29
    vinylene carbonate 49.2
    1,1,2-trichlorotrifluoroethane 51.73
    DMS 32.36
    cumene 5.09
    2-octanol 1.66
    2-hexanone 13.09
    octyl acetate 7.87
    limonene 5.68
    1,2-dimethoxyethane 26.75
    ethyl orthosilicate 12.08
    tributyl phosphate 9.47
    diacetone alcohol 28.3
    N,N-dimethylaniline 11.92
    acrylonitrile 23.76
    aniline 22.89
    1,3-propanediol 6.84
    bromobenzene 38.66
    dibromomethane 28.4
    1,1,2,2-tetrachloroethane 68.34
    2-methyl-cyclohexyl acetate 21.63
    tetrabutyl urea 14.32
    diisobutyl methanol 3.99
    2-phenylethanol 27.6
    styrene 9.36
    dioctyl adipate 13.05
    dimethyl sulfate 36.75
    ethyl butyrate 15.01
    methyl lactate 14.49
    butyl lactate 14.7
    diethyl carbonate 14.26
    propanediol butyl ether 7.99
    triethyl orthoformate 13.18
    p-tert-butyltoluene 5.71
    methyl 4-tert-butylbenzoate 27.69
    morpholine 22.85
    tert-butylamine 1.48
    n-dodecanol 1.34
    dimethoxymethane 29.24
    ethylene carbonate 37.29
    cyrene 32.49
    2-ethoxyethyl acetate 29.82
    2-ethylhexyl acetate 20.37
    1,2,4-trichlorobenzene 49.55
    4-methylpyridine 53.72
    dibutyl ether 2.7
    2,6-dimethyl-4-heptanol 3.99
    DEF 23.22
    dimethyl isosorbide 50.79
    tetrachloroethylene 46.84
    eugenol 30.73
    triacetin 22.14
    span 80 13.84
    1,4-butanediol 2.22
    1,1-dichloroethane 24.23
    2-methyl-1-pentanol 4.43
    methyl formate 17.43
    2-methyl-1-butanol 3.35
    n-decane 0.16
    butyronitrile 9.32
    3,7-dimethyl-1-octanol 3.19
    1-chlorooctane 1.35
    1-chlorotetradecane 0.85
    n-nonane 0.1
    undecane 0.13
    tert-butylcyclohexane 0.35
    cyclooctane 0.14
    cyclopentanol 4.59
    tetrahydropyran 13.65
    tert-amyl methyl ether 3.3
    2,5,8-trioxanonane 34.94
    1-hexene 0.69
    2-isopropoxyethanol 9.24
    2,2,2-trifluoroethanol 10.22
    methyl butyrate 18.27

    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