Tanshinone I

Overview IFRA Request a quote

  • Identifiers

    CAS number
    568-73-0

    Molecular formula
    C18H12O3

    SMILES
    CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 51.74%
    Floral 42.44%
    Powdery 39.24%
    Neroli 34.67%
    Fruity 34.48%
    Phenolic 31.96%
    Coumarinic 31.6%
    Dry 26.25%
    Bitter 26.16%
    Honey 25.98%

     

    Flavor
    Bitter 94.39%
    Very strong 19.26%
    Indole 18.8%
    Lovage 18.57%
    Nitrile 18.55%
    Cedarleaf 18.29%
    Parsley 17.59%
    Rotten 17.47%
    Cereal 17.46%
    Ripe apricot 17.32%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    6.02 (neutral)

    Molecular weight
    276.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    712°C

    Flash point

    • 225.26 ˚C est.

  • Synonyms

    • Tanshinone I
    • 568-73-0
    • Tanshinone A
    • Tanshinon I
    • Tanshinone
    • UNII-03UUH3J385
    • Phenanthro[1,2-b]furan-10,11-dione, 1,6-dimethyl-
    • 03UUH3J385
    • 1,6-Dimethyl-phenanthro[1,2-b]furan-10,11-dione
    • Phenanthro(1,2-b)furan-10,11-dione, 1,6-Dimethyl-
    • 1,6-DIMETHYL-PHENANTHRO(1,2-B)FURAN-10,11-DIONE
    • RefChem:50718
    • TANSHINONE I (CONSTITUENT OF CHINESE SALVIA)
    • 54693-68-4
    • 1,6-Dimethylphenanthro[1,2-b]furan-10,11-dione
    • Tanshinone-I
    • C18H12O3
    • MFCD00210563
    • 1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dione
    • MLS000697676
    • 1,6-Dimethylphenanthro(1,2-b)furan-10,11-dione
    • 1,6-dimethylnaphtho[1,2-g]benzofuran-10,11-dione
    • SMR000445578
    • 1,6-dimethyl-10H,11H-phenanthro[1,2-b]furan-10,11-dione
    • TanshinoneI
    • Tanshinone I?
    • Tanshinone I (Standard)
    • MLS006011773
    • SCHEMBL244391
    • CHEMBL363535
    • cid_114917
    • orb1304863
    • AIGAZQPHXLWMOJ-UHFFFAOYSA-
    • BDBM51317
    • HY-N0134R
    • DTXSID90972247
    • Tanshinone I, analytical standard
    • CHEBI:149906
    • HMS2222J14
    • HMS3656A11
    • HMS5080L16
    • Tanshinone I, >=98% (HPLC)
    • BB_NC-01754
    • HY-N0134
    • BBL010133
    • EBC-17045
    • s2364
    • STK801472
    • AKOS005613012
    • AC-7999
    • CCG-267206
    • FT09979
    • NCGC00247624-01
    • NCGC00247624-02
    • NCGC00247624-03
    • NCGC00247624-05
    • AS-68049
    • DB-052982
    • SW219821-1
    • Tanshinon I, Tanshinone A, Tanshinquinone I
    • 568T730
    • 1,6-dimethylnaphtho[1,2-g]benzofuran-10,11-quinone
    • 1,6-Dimethylphenanthro[1,2-b]furan-10,11-dione #
    • BRD-K34073885-001-07-7
    • BRD-K34073885-001-09-3
    • Q27247588
    • TANSHINONE I (CONSTITUENT OF CHINESE SALVIA) [DSC]
    • InChI=1/C18H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-8H,1-2H3
    • Phenanthro[1,2-b]furan-10,11-dione, 1,6-dimethyl-; 1,6-Dimethylphenanthro[1,2-b]furan-10,11-dione; Tanshinon I; Tanshinone A; Tanshinone I
    • 568-73-0

  • Applications

    Tanshinone I (CAS 568-73-0) is primarily evaluated in pharmaceutical research and development as a natural product lead compound for tanshinone-derived candidates, serving as a basis for studies on biological activity and synthetic access. In cosmetics and personal care, it has been investigated as a natural pigment with potential antioxidant-like properties and could be considered for inclusion in formulation contexts. In coatings and inks, tanshinone I may be used as a colorant or pigment additive given its lipophilic character and characteristic hue. In the polymers and plastics sector, it is evaluated as a stabilizer or synthetic intermediate for tanshinone derivatives, contributing to polymer formulation strategies and enabling access to related materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.84
    methanol 0.75
    isopropanol 0.55
    water 0.0
    ethyl acetate 6.88
    n-propanol 1.01
    acetone 6.47
    n-butanol 1.2
    acetonitrile 1.9
    DMF 30.67
    toluene 18.31
    isobutanol 0.98
    1,4-dioxane 15.98
    methyl acetate 8.74
    THF 35.21
    2-butanone 11.2
    n-pentanol 1.1
    sec-butanol 0.73
    n-hexane 0.1
    ethylene glycol 0.36
    NMP 53.69
    cyclohexane 0.25
    DMSO 8.23
    n-butyl acetate 10.15
    n-octanol 0.9
    chloroform 26.66
    n-propyl acetate 7.26
    acetic acid 2.91
    dichloromethane 38.42
    cyclohexanone 23.13
    propylene glycol 0.35
    isopropyl acetate 7.62
    DMAc 42.74
    2-ethoxyethanol 4.6
    isopentanol 2.14
    n-heptane 0.12
    ethyl formate 3.47
    1,2-dichloroethane 28.13
    n-hexanol 2.19
    2-methoxyethanol 6.97
    isobutyl acetate 7.37
    tetrachloromethane 1.67
    n-pentyl acetate 8.88
    transcutol 22.83
    n-heptanol 1.77
    ethylbenzene 6.34
    MIBK 9.59
    2-propoxyethanol 11.12
    tert-butanol 1.34
    MTBE 3.55
    2-butoxyethanol 7.26
    propionic acid 2.19
    o-xylene 8.3
    formic acid 0.95
    diethyl ether 3.18
    m-xylene 9.56
    p-xylene 8.21
    chlorobenzene 17.19
    dimethyl carbonate 11.33
    n-octane 0.09
    formamide 2.83
    cyclopentanone 35.89
    2-pentanone 8.59
    anisole 15.0
    cyclopentyl methyl ether 13.41
    gamma-butyrolactone 34.47
    1-methoxy-2-propanol 5.65
    pyridine 38.28
    3-pentanone 9.43
    furfural 38.39
    n-dodecane 0.11
    diethylene glycol 7.39
    diisopropyl ether 1.71
    tert-amyl alcohol 1.59
    acetylacetone 18.63
    n-hexadecane 0.15
    acetophenone 18.57
    methyl propionate 9.77
    isopentyl acetate 14.63
    trichloroethylene 82.24
    n-nonanol 1.24
    cyclohexanol 2.17
    benzyl alcohol 8.99
    2-ethylhexanol 2.66
    isooctanol 2.15
    dipropyl ether 3.32
    1,2-dichlorobenzene 19.1
    ethyl lactate 4.3
    propylene carbonate 14.88
    n-methylformamide 6.15
    2-pentanol 0.83
    n-pentane 0.07
    1-propoxy-2-propanol 7.15
    1-methoxy-2-propyl acetate 20.51
    2-(2-methoxypropoxy) propanol 12.22
    mesitylene 5.01
    ε-caprolactone 20.02
    p-cymene 4.87
    epichlorohydrin 63.05
    1,1,1-trichloroethane 15.62
    2-aminoethanol 0.77
    morpholine-4-carbaldehyde 45.24
    sulfolane 41.3
    2,2,4-trimethylpentane 0.19
    2-methyltetrahydrofuran 15.81
    n-hexyl acetate 7.61
    isooctane 0.16
    2-(2-butoxyethoxy)ethanol 10.95
    sec-butyl acetate 7.69
    tert-butyl acetate 13.51
    decalin 0.54
    glycerin 1.46
    diglyme 29.81
    acrylic acid 3.5
    isopropyl myristate 4.8
    n-butyric acid 3.9
    acetyl acetate 7.34
    di(2-ethylhexyl) phthalate 7.69
    ethyl propionate 7.82
    nitromethane 12.73
    1,2-diethoxyethane 10.01
    benzonitrile 13.27
    trioctyl phosphate 3.69
    1-bromopropane 6.6
    gamma-valerolactone 50.46
    n-decanol 0.98
    triethyl phosphate 7.98
    4-methyl-2-pentanol 1.49
    propionitrile 3.2
    vinylene carbonate 17.34
    1,1,2-trichlorotrifluoroethane 27.62
    DMS 21.48
    cumene 4.05
    2-octanol 1.13
    2-hexanone 7.64
    octyl acetate 4.89
    limonene 5.0
    1,2-dimethoxyethane 16.28
    ethyl orthosilicate 7.6
    tributyl phosphate 4.58
    diacetone alcohol 13.62
    N,N-dimethylaniline 10.77
    acrylonitrile 7.75
    aniline 12.02
    1,3-propanediol 1.7
    bromobenzene 22.2
    dibromomethane 15.47
    1,1,2,2-tetrachloroethane 39.34
    2-methyl-cyclohexyl acetate 12.54
    tetrabutyl urea 8.24
    diisobutyl methanol 2.63
    2-phenylethanol 12.91
    styrene 8.25
    dioctyl adipate 8.35
    dimethyl sulfate 23.71
    ethyl butyrate 8.23
    methyl lactate 5.51
    butyl lactate 6.83
    diethyl carbonate 6.94
    propanediol butyl ether 3.89
    triethyl orthoformate 8.22
    p-tert-butyltoluene 4.66
    methyl 4-tert-butylbenzoate 18.0
    morpholine 15.92
    tert-butylamine 0.8
    n-dodecanol 0.82
    dimethoxymethane 18.35
    ethylene carbonate 10.92
    cyrene 17.03
    2-ethoxyethyl acetate 18.34
    2-ethylhexyl acetate 12.73
    1,2,4-trichlorobenzene 27.46
    4-methylpyridine 31.55
    dibutyl ether 2.54
    2,6-dimethyl-4-heptanol 2.63
    DEF 14.89
    dimethyl isosorbide 35.48
    tetrachloroethylene 24.81
    eugenol 17.29
    triacetin 13.1
    span 80 7.45
    1,4-butanediol 0.67
    1,1-dichloroethane 11.36
    2-methyl-1-pentanol 2.23
    methyl formate 6.23
    2-methyl-1-butanol 1.7
    n-decane 0.16
    butyronitrile 2.88
    3,7-dimethyl-1-octanol 1.96
    1-chlorooctane 1.17
    1-chlorotetradecane 0.72
    n-nonane 0.11
    undecane 0.13
    tert-butylcyclohexane 0.44
    cyclooctane 0.14
    cyclopentanol 2.35
    tetrahydropyran 10.18
    tert-amyl methyl ether 4.39
    2,5,8-trioxanonane 21.97
    1-hexene 0.78
    2-isopropoxyethanol 4.42
    2,2,2-trifluoroethanol 1.83
    methyl butyrate 8.84

    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