Tanshinone Iia

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  • Identifiers

    CAS number
    568-72-9

    Molecular formula
    C19H18O3

    SMILES
    CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C

    Safety labels

  • Odor profile

    Fragrance
    Musk 55.01%
    Sweet 51.66%
    Powdery 44.73%
    Fruity 41.84%
    Dry 37.85%
    Woody 31.65%
    Floral 29.24%
    Amber 28.9%
    Fatty 26.78%
    Tobacco 24.76%

     

    Flavor
    Bitter 89.07%
    Lovage 19.35%
    Cedarleaf 19.35%
    Very strong 18.89%
    Parsley 18.77%
    Ripe apricot 18.71%
    Red fruit 18.71%
    Indole 18.57%
    Nitrile 18.12%
    Cereal 17.89%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    6.9 (neutral)

    Molecular weight
    294.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    561°C

    Flash point

    • 209.96 ˚C est.

    Solubility expt.

    • 5 mg/mL methanol

  • Synonyms

    • Tanshinone IIA
    • 568-72-9
    • Tanshinone II
    • Tanshinone B
    • Dan Shen Ketone
    • Tanshinon II
    • 1,6,6-Trimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione
    • tanshinone II A
    • 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione
    • Phenanthro[1,2-b]furan-10,11-dione, 6,7,8,9-tetrahydro-1,6,6-trimethyl-
    • 4GPC9FQG6L
    • TASHINONE IIA
    • NSC-686519
    • DTXSID60205352
    • Phenanthro(1,2-b)furan-10,11-dione, 6,7,8,9-tetrahydro-1,6,6-trimethyl-
    • NSC-686518
    • 1,6,6-TRIMETHYL-6,7,8,9-TETRAHYDROPHENANTHRO(1,2-B)FURAN-10,11-DIONE
    • 1,6,6-trimethyl-8,9-dihydro-7H-naphtho(1,2-g)(1)benzofuran-10,11-dione
    • RefChem:49651
    • DTXCID60127843
    • 692-941-4
    • C19H18O3
    • MFCD00238692
    • SALVIOL IIA
    • 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g]benzofuran-10,11-dione
    • MLS001048863
    • Tanshinone II-A
    • NSC686519
    • SMR000387068
    • 6,7,8,9-Tetrahydro-1,6,6-trimethylphenanthro[1,2-b]furan-10,11-dione
    • SR-01000758926
    • UNII-4GPC9FQG6L
    • NSC 686518
    • tanshinone-IIA
    • HSDB 8104
    • Tanshinone IIA?
    • 6,7,8,9-TETRAHYDRO-1,6,6-TRIMETHYLPHENANTHRO(1,2-B)FURAN-10,11-DIONE
    • Tanshinone 2-A
    • Tanshinone IIa CRS
    • Tanshinone IIA (Standard)
    • BSPBio_001597
    • BSPBio_002426
    • KBioGR_000317
    • KBioSS_000317
    • MLS006011834
    • SPECTRUM1505824
    • CHEMBL187266
    • cid_164676
    • orb1304864
    • SCHEMBL2026738
    • Tanshinone IIA (Tanshinone B)
    • TANSHINONE IIA [USP-RS]
    • TANSHINONE IIA [WHO-DD]
    • BDBM83922
    • GTPL13771
    • HY-N0135R
    • KBio2_000317
    • KBio2_002885
    • KBio2_005453
    • KBio3_000633
    • KBio3_000634
    • CHEBI:108595
    • Bio2_000317
    • Bio2_000797
    • HMS1361P19
    • HMS1791P19
    • HMS1989P19
    • HMS2089H08
    • HMS2270D15
    • HMS3402P19
    • HMS3656C11
    • HMS5080N16
    • NP474
    • BB_NC-01062
    • HY-N0135
    • MSK40088
    • Tanshinone IIA, analytical standard
    • BBL028449
    • s2365
    • STK801917
    • Tanshinone IIA, >=97% (HPLC)
    • AKOS004120032
    • AC-1440
    • CCG-207955
    • CCG-208275
    • FT09489
    • IDI1_034067
    • NCGC00095709-01
    • NCGC00095709-02
    • NCGC00095709-03
    • NCGC00095709-04
    • NCGC00095709-05
    • NCGC00095709-06
    • NCGC00095709-08
    • NCGC00095709-09
    • AS-16136
    • NCI60_031209
    • NS00018027
    • SW220025-1
    • T2987
    • 568T729
    • AN-956/21180002
    • AO-088/21192001
    • Q-100654
    • SR-01000758926-2
    • SR-01000758926-4
    • SR-01000758926-5
    • BRD-K00141480-001-03-0
    • BRD-K00141480-001-14-7
    • BRD-K00141480-001-15-4
    • Q27187517
    • Phenanthro[1,11-dione, 6,7,8,9-tetrahydro-1,6,6-trimethyl-
    • TANSHINONE IIA (CONSTITUENT OF CHINESE SALVIA) [DSC]
    • Tanshinone IIA, European Pharmacopoeia (EP) Reference Standard
    • Tanshinone IIA, United States Pharmacopeia (USP) Reference Standard
    • 1,6,6-Trimethyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione #
    • 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g]benzofuran-10,11-quinone
    • 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[8,7-g]benzofuran-10,11-dione
    • 568-72-9

  • Applications

    Tanshinone IIA (CAS 568-72-9) is used in pharmaceutical research as a pharmacological scaffold and lead compound for the development of tanshinone-type drugs; it serves as a chemical synthesis intermediate for the preparation of semi-synthetic derivatives in medicinal chemistry; in cosmetics and personal care it is investigated as an active ingredient with potential antioxidant and anti-inflammatory effects in research formulations; it can be employed as a pigment or colorant in specialty coatings and inks; and it is used as an analytical reference standard for method development and quality control of related compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.43
    methanol 9.01
    isopropanol 7.41
    water 0.0
    ethyl acetate 67.26
    n-propanol 14.85
    acetone 50.94
    n-butanol 17.35
    acetonitrile 19.88
    DMF 224.29
    toluene 136.54
    isobutanol 13.13
    1,4-dioxane 96.84
    methyl acetate 70.82
    THF 205.68
    2-butanone 88.15
    n-pentanol 9.45
    sec-butanol 9.98
    n-hexane 0.81
    ethylene glycol 4.34
    NMP 369.01
    cyclohexane 2.85
    DMSO 54.45
    n-butyl acetate 53.25
    n-octanol 3.89
    chloroform 289.42
    n-propyl acetate 39.52
    acetic acid 21.8
    dichloromethane 295.69
    cyclohexanone 161.91
    propylene glycol 5.56
    isopropyl acetate 53.79
    DMAc 248.22
    2-ethoxyethanol 31.25
    isopentanol 21.59
    n-heptane 0.55
    ethyl formate 27.86
    1,2-dichloroethane 202.19
    n-hexanol 15.93
    2-methoxyethanol 67.89
    isobutyl acetate 34.55
    tetrachloromethane 15.32
    n-pentyl acetate 37.3
    transcutol 133.49
    n-heptanol 8.45
    ethylbenzene 30.41
    MIBK 57.82
    2-propoxyethanol 73.2
    tert-butanol 12.15
    MTBE 25.93
    2-butoxyethanol 34.74
    propionic acid 23.37
    o-xylene 47.66
    formic acid 8.2
    diethyl ether 29.25
    m-xylene 65.31
    p-xylene 37.26
    chlorobenzene 147.38
    dimethyl carbonate 70.59
    n-octane 0.29
    formamide 21.26
    cyclopentanone 234.92
    2-pentanone 76.56
    anisole 81.68
    cyclopentyl methyl ether 108.7
    gamma-butyrolactone 225.76
    1-methoxy-2-propanol 52.73
    pyridine 244.9
    3-pentanone 71.09
    furfural 215.57
    n-dodecane 0.26
    diethylene glycol 48.21
    diisopropyl ether 11.11
    tert-amyl alcohol 14.17
    acetylacetone 100.93
    n-hexadecane 0.35
    acetophenone 89.83
    methyl propionate 92.51
    isopentyl acetate 67.01
    trichloroethylene 548.63
    n-nonanol 4.77
    cyclohexanol 25.67
    benzyl alcohol 58.81
    2-ethylhexanol 13.34
    isooctanol 8.82
    dipropyl ether 14.87
    1,2-dichlorobenzene 127.97
    ethyl lactate 24.13
    propylene carbonate 103.22
    n-methylformamide 60.25
    2-pentanol 10.51
    n-pentane 0.91
    1-propoxy-2-propanol 43.05
    1-methoxy-2-propyl acetate 104.39
    2-(2-methoxypropoxy) propanol 48.48
    mesitylene 27.35
    ε-caprolactone 143.48
    p-cymene 16.98
    epichlorohydrin 385.58
    1,1,1-trichloroethane 126.23
    2-aminoethanol 10.21
    morpholine-4-carbaldehyde 271.39
    sulfolane 236.79
    2,2,4-trimethylpentane 1.21
    2-methyltetrahydrofuran 119.02
    n-hexyl acetate 36.27
    isooctane 1.02
    2-(2-butoxyethoxy)ethanol 49.88
    sec-butyl acetate 37.53
    tert-butyl acetate 69.3
    decalin 2.3
    glycerin 15.63
    diglyme 111.45
    acrylic acid 31.44
    isopropyl myristate 14.8
    n-butyric acid 41.02
    acetyl acetate 44.34
    di(2-ethylhexyl) phthalate 25.64
    ethyl propionate 46.68
    nitromethane 83.86
    1,2-diethoxyethane 42.27
    benzonitrile 85.32
    trioctyl phosphate 12.54
    1-bromopropane 59.98
    gamma-valerolactone 302.42
    n-decanol 3.55
    triethyl phosphate 26.26
    4-methyl-2-pentanol 11.19
    propionitrile 32.84
    vinylene carbonate 107.66
    1,1,2-trichlorotrifluoroethane 171.45
    DMS 88.67
    cumene 16.9
    2-octanol 4.83
    2-hexanone 38.76
    octyl acetate 17.91
    limonene 19.13
    1,2-dimethoxyethane 73.41
    ethyl orthosilicate 24.31
    tributyl phosphate 17.1
    diacetone alcohol 70.23
    N,N-dimethylaniline 51.15
    acrylonitrile 65.83
    aniline 112.45
    1,3-propanediol 20.9
    bromobenzene 171.56
    dibromomethane 141.55
    1,1,2,2-tetrachloroethane 304.37
    2-methyl-cyclohexyl acetate 45.7
    tetrabutyl urea 25.57
    diisobutyl methanol 9.49
    2-phenylethanol 65.77
    styrene 43.66
    dioctyl adipate 27.65
    dimethyl sulfate 120.83
    ethyl butyrate 35.81
    methyl lactate 47.04
    butyl lactate 31.78
    diethyl carbonate 27.23
    propanediol butyl ether 21.66
    triethyl orthoformate 29.45
    p-tert-butyltoluene 17.25
    methyl 4-tert-butylbenzoate 59.08
    morpholine 131.76
    tert-butylamine 6.63
    n-dodecanol 2.7
    dimethoxymethane 123.24
    ethylene carbonate 72.88
    cyrene 75.21
    2-ethoxyethyl acetate 78.68
    2-ethylhexyl acetate 53.43
    1,2,4-trichlorobenzene 166.76
    4-methylpyridine 253.87
    dibutyl ether 8.63
    2,6-dimethyl-4-heptanol 9.49
    DEF 112.58
    dimethyl isosorbide 125.07
    tetrachloroethylene 163.01
    eugenol 58.25
    triacetin 50.75
    span 80 30.89
    1,4-butanediol 6.15
    1,1-dichloroethane 123.69
    2-methyl-1-pentanol 15.1
    methyl formate 48.39
    2-methyl-1-butanol 20.6
    n-decane 0.41
    butyronitrile 28.84
    3,7-dimethyl-1-octanol 8.69
    1-chlorooctane 4.13
    1-chlorotetradecane 1.94
    n-nonane 0.31
    undecane 0.32
    tert-butylcyclohexane 1.87
    cyclooctane 1.08
    cyclopentanol 27.59
    tetrahydropyran 89.04
    tert-amyl methyl ether 28.94
    2,5,8-trioxanonane 73.16
    1-hexene 5.73
    2-isopropoxyethanol 25.94
    2,2,2-trifluoroethanol 13.56
    methyl butyrate 54.1

    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