Cryptotanshinone

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  • Identifiers

    CAS number
    35825-57-1

    Molecular formula
    C19H20O3

    SMILES
    C[C@H]1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C

    Safety labels

    Acute Toxic
    Acute Toxic

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sweet 50.26%
    Musk 44.87%
    Powdery 42.6%
    Woody 37.46%
    Dry 32.17%
    Fruity 32.06%
    Tobacco 28.78%
    Floral 27.64%
    Amber 26.39%
    Coumarinic 23.2%

     

    Flavor
    Bitter 86.22%
    Lovage 20.05%
    Cedarleaf 19.35%
    Ripe apricot 19.15%
    Red fruit 19.12%
    Parsley 19.03%
    Very strong 18.02%
    Indole 18.0%
    Cereal 17.96%
    Nitrile 17.89%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    6.24 (neutral)

    Molecular weight
    296.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    455°C

    Flash point

    • 204.89 ˚C est.

  • Synonyms

    • Cryptotanshinone
    • 35825-57-1
    • Tanshinone c
    • (R)-1,2,6,7,8,9-Hexahydro-1,6,6-trimethyl-phenanthro(1,2-b)furan-10,11-dione
    • Cryptotanshinon
    • (15R)-cryptotanshinone
    • 5E9SXT166N
    • (1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione
    • DTXSID0044072
    • (1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho(1,2-g)(1)benzofuran-10,11-dione
    • RefChem:34000
    • DTXCID501776429
    • SID521176
    • C19H20O3
    • 4733-35-1
    • MFCD07636810
    • (R)-1,6,6-trimethyl-1,2,6,7,8,9-hexahydrophenanthro[1,2-b]furan-10,11-dione
    • (1r)-1,6,6-trimethyl-1,2,6,7,8,9-hexahydrophenanthro[1,2-b]furan-10,11-dione
    • MLS001049002
    • Phenanthro[1,2-b]furan-10,11-dione,1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-, (R)-
    • SMR000387041
    • Phenanthro[1,2-b]furan-10,11-dione,1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-, (1R)-
    • Cryototanshinone
    • (-)-Cryptotanshinone
    • Cryptotanshinon;Tanshinone c
    • SR-01000758222
    • UNII-5E9SXT166N
    • Cryptonshinone
    • Cyptotanshinone
    • NSC686518
    • starbld0002638
    • Cryptotanshinone (Standard)
    • SPECTRUM1505812
    • CHEMBL187460
    • cid_160254
    • orb1304987
    • SCHEMBL5940386
    • SCHEMBL29387944
    • BDBM57938
    • HY-N0174R
    • CHEBI:149838
    • Phenanthro(1,2-b)furan-10,11-dione, 1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-, (R)-
    • HMS2269A22
    • BB_NC-01574
    • Cryptotanshinone, >=98% (HPLC)
    • HY-N0174
    • Cryptotanshinone, analytical standard
    • EBC-12805
    • HB1434
    • MSK159242
    • s2285
    • AKOS015895392
    • CCG-208561
    • CS-3276
    • DB15579
    • FC16238
    • (1R)-1,6,6-trimethyl-1H,2H,6H,7H,8H,9H,10H,11H-phenanthro[1,2-b]furan-10,11-dione
    • (R)-1,2,6,7,8,9-Hexahydro-1,6,6-trimethylphenanthro[1,2-b]furan-10,11-dione
    • NCGC00163650-01
    • NCGC00163650-02
    • NCGC00163650-06
    • AC-37601
    • BS-17094
    • NCI60_031208
    • SY068754
    • C3363
    • EN300-7416850
    • 825C571
    • SR-01000758222-3
    • SR-01000758222-4
    • BRD-K33336844-001-05-3
    • BRD-K33336844-001-09-5
    • BRD-K33336844-001-10-3
    • Q27261913
    • Z2037317972
    • CRYPTOTANSHINONE (CONSTITUENT OF CHINESE SALVIA) [DSC]
    • Phenanthro[1,11-dione, 1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-, (1R)-
    • (1R)-1,6,6-trimethyl-2,3a,7,8,9,11a-hexahydro-1H-naphtho[1,2-g]benzofuran-10,11-dione
    • (1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g]benzofuran-10,11-dione
    • (1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g]benzofuran-10,11-quinone
    • 1,2,6,7,8,9-hexahydro-1,6,6-trimethyl- (R)-phenanthro(1,2-b)furan-10,11-dione
    • PHENANTHRO(1,2-B)FURAN-10,11-DIONE, 1,2,6,7,8,9-HEXAHYDRO-1,6,6-TRIMETHYL-, (1R)-
    • 35825-57-1

  • Applications

    Cryptotanshinone (CAS 35825-57-1) is primarily evaluated in pharmaceutical and biomedical contexts, acting as a lead compound and research reagent with reported preclinical activities such as anti-inflammatory effects and inhibition of cellular growth pathways. It is also used as an intermediate in the synthesis of tanshinone derivatives for drug discovery efforts. In biochemical and cellular research, it serves as a tool to study signaling pathways and related mechanisms (for example, STAT3 inhibition). Additionally, it has been investigated for cosmetic applications in topical formulations due to its antioxidant and anti-inflammatory properties, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22.37
    methanol 20.12
    isopropanol 16.07
    water 0.03
    ethyl acetate 132.09
    n-propanol 27.02
    acetone 124.89
    n-butanol 36.41
    acetonitrile 61.25
    DMF 326.07
    toluene 189.16
    isobutanol 23.54
    1,4-dioxane 175.34
    methyl acetate 127.12
    THF 290.48
    2-butanone 149.21
    n-pentanol 18.21
    sec-butanol 17.05
    n-hexane 1.29
    ethylene glycol 10.14
    NMP 451.45
    cyclohexane 5.93
    DMSO 94.61
    n-butyl acetate 97.91
    n-octanol 7.82
    chloroform 549.29
    n-propyl acetate 73.04
    acetic acid 64.31
    dichloromethane 527.76
    cyclohexanone 293.42
    propylene glycol 9.4
    isopropyl acetate 109.34
    DMAc 325.23
    2-ethoxyethanol 54.86
    isopentanol 45.55
    n-heptane 0.92
    ethyl formate 69.05
    1,2-dichloroethane 386.84
    n-hexanol 28.44
    2-methoxyethanol 112.89
    isobutyl acetate 64.05
    tetrachloromethane 41.71
    n-pentyl acetate 67.94
    transcutol 214.7
    n-heptanol 15.47
    ethylbenzene 46.81
    MIBK 103.39
    2-propoxyethanol 117.32
    tert-butanol 24.7
    MTBE 36.71
    2-butoxyethanol 62.37
    propionic acid 49.84
    o-xylene 74.41
    formic acid 24.67
    diethyl ether 52.1
    m-xylene 97.32
    p-xylene 60.36
    chlorobenzene 246.58
    dimethyl carbonate 127.46
    n-octane 0.51
    formamide 55.35
    cyclopentanone 366.56
    2-pentanone 144.4
    anisole 109.47
    cyclopentyl methyl ether 145.99
    gamma-butyrolactone 360.0
    1-methoxy-2-propanol 86.09
    pyridine 343.04
    3-pentanone 124.67
    furfural 365.16
    n-dodecane 0.51
    diethylene glycol 84.19
    diisopropyl ether 19.51
    tert-amyl alcohol 21.02
    acetylacetone 200.03
    n-hexadecane 0.67
    acetophenone 132.56
    methyl propionate 154.39
    isopentyl acetate 111.92
    trichloroethylene 909.36
    n-nonanol 9.38
    cyclohexanol 48.03
    benzyl alcohol 94.48
    2-ethylhexanol 22.78
    isooctanol 15.83
    dipropyl ether 22.3
    1,2-dichlorobenzene 235.54
    ethyl lactate 45.77
    propylene carbonate 206.72
    n-methylformamide 108.73
    2-pentanol 20.43
    n-pentane 1.65
    1-propoxy-2-propanol 66.64
    1-methoxy-2-propyl acetate 163.25
    2-(2-methoxypropoxy) propanol 74.14
    mesitylene 45.01
    ε-caprolactone 255.92
    p-cymene 26.61
    epichlorohydrin 557.28
    1,1,1-trichloroethane 262.77
    2-aminoethanol 18.97
    morpholine-4-carbaldehyde 375.89
    sulfolane 332.3
    2,2,4-trimethylpentane 1.75
    2-methyltetrahydrofuran 163.89
    n-hexyl acetate 66.42
    isooctane 1.68
    2-(2-butoxyethoxy)ethanol 82.9
    sec-butyl acetate 64.99
    tert-butyl acetate 117.46
    decalin 4.14
    glycerin 29.1
    diglyme 179.99
    acrylic acid 71.1
    isopropyl myristate 26.72
    n-butyric acid 96.92
    acetyl acetate 120.18
    di(2-ethylhexyl) phthalate 43.83
    ethyl propionate 80.38
    nitromethane 193.23
    1,2-diethoxyethane 70.5
    benzonitrile 170.19
    trioctyl phosphate 24.77
    1-bromopropane 100.52
    gamma-valerolactone 458.62
    n-decanol 6.9
    triethyl phosphate 46.36
    4-methyl-2-pentanol 22.41
    propionitrile 75.27
    vinylene carbonate 224.04
    1,1,2-trichlorotrifluoroethane 279.41
    DMS 148.08
    cumene 27.94
    2-octanol 8.45
    2-hexanone 65.68
    octyl acetate 32.66
    limonene 28.81
    1,2-dimethoxyethane 116.35
    ethyl orthosilicate 42.56
    tributyl phosphate 33.68
    diacetone alcohol 113.0
    N,N-dimethylaniline 65.73
    acrylonitrile 144.47
    aniline 174.09
    1,3-propanediol 43.85
    bromobenzene 284.59
    dibromomethane 261.43
    1,1,2,2-tetrachloroethane 540.38
    2-methyl-cyclohexyl acetate 74.84
    tetrabutyl urea 44.22
    diisobutyl methanol 16.98
    2-phenylethanol 101.62
    styrene 63.46
    dioctyl adipate 48.71
    dimethyl sulfate 191.24
    ethyl butyrate 62.67
    methyl lactate 81.87
    butyl lactate 56.59
    diethyl carbonate 53.1
    propanediol butyl ether 37.01
    triethyl orthoformate 51.19
    p-tert-butyltoluene 25.66
    methyl 4-tert-butylbenzoate 93.29
    morpholine 206.15
    tert-butylamine 12.64
    n-dodecanol 5.26
    dimethoxymethane 192.31
    ethylene carbonate 166.77
    cyrene 108.89
    2-ethoxyethyl acetate 131.18
    2-ethylhexyl acetate 89.19
    1,2,4-trichlorobenzene 281.94
    4-methylpyridine 385.6
    dibutyl ether 14.93
    2,6-dimethyl-4-heptanol 16.98
    DEF 181.92
    dimethyl isosorbide 176.46
    tetrachloroethylene 322.69
    eugenol 93.74
    triacetin 89.8
    span 80 51.34
    1,4-butanediol 13.06
    1,1-dichloroethane 238.15
    2-methyl-1-pentanol 26.86
    methyl formate 98.17
    2-methyl-1-butanol 35.39
    n-decane 0.78
    butyronitrile 67.22
    3,7-dimethyl-1-octanol 15.69
    1-chlorooctane 7.77
    1-chlorotetradecane 3.72
    n-nonane 0.59
    undecane 0.61
    tert-butylcyclohexane 3.03
    cyclooctane 2.12
    cyclopentanol 45.93
    tetrahydropyran 143.69
    tert-amyl methyl ether 37.68
    2,5,8-trioxanonane 119.55
    1-hexene 8.75
    2-isopropoxyethanol 44.63
    2,2,2-trifluoroethanol 45.47
    methyl butyrate 96.94

    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