3,4-Dihydro-6-methoxy-3,7-dimethyl-1H-2-benzopyran-8-ol

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  • Identifiers

    CAS number
    70080-82-9

    Molecular formula
    C12H16O3

    SMILES
    CC1CC2=CC(=C(C(=C2CO1)O)C)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 68.63%
    Phenolic 66.93%
    Spicy 56.54%
    Smoky 49.1%
    Vanilla 43.94%
    Woody 36.28%
    Medicinal 36.16%
    Leathery 31.41%
    Powdery 30.17%
    Creamy 29.4%

     

    Flavor
    Bitter 46.65%
    Spice 28.52%
    Smoky 26.72%
    Earthy 26.67%
    Phenolic 24.92%
    Spicy 24.39%
    Musty 24.38%
    Parsley 23.03%
    Burnt 23.02%
    Eugenol 22.98%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.3 (weak base)

    Molecular weight
    208.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    374°C

    Melting point expt.

    • 122 °C

    Flash point

    • 136.31 ˚C est.

  • Synonyms

    • 70080-82-9
    • 3,4-Dihydro-6-methoxy-3,7-dimethyl-1H-benzopyran-8-ol
    • 3,4-Dihydro-6-methoxy-3,7-dimethyl-1H-2-benzopyran-8-ol
    • 6-methoxy-3,7-dimethyl-3,4-dihydro-1H-2-benzopyran-8-ol
    • DTXSID00990331
    • RefChem:910609
    • DHMI-8
    • DTXCID601417434
    • 3,7-Dimethyl-8-hydroxy-6-methoxyisochroman
    • 3,7-Dimethyl-6-methoxy-8-isochromanol
    • 6-methoxy-3,7-dimethyl-3,4-dihydro-1H-isochromen-8-ol
    • 6-METHOXY-3,7-DIMETHYLISOCHROMAN-8-OL
    • 8-Hydroxy-6-methoxy-3,7-dimethylisochroman
    • 8-ISOCHROMANOL, 3,7-DIMETHYL-6-METHOXY-
    • SCHEMBL8484233
    • CHEMBL2261570
    • CHEBI:173599
    • BDBM50487919
    • 70080-82-9

  • Applications

    3,4-Dihydro-6-methoxy-3,7-dimethyl-1H-2-benzopyran-8-ol (CAS 70080-82-9) is used primarily as a synthetic building block and intermediate in organic synthesis, enabling access to pharmacophore-containing scaffolds in pharmaceutical research and serving as a precursor for agrochemical synthesis; it is also evaluated as a fragrance and flavor intermediate and may function as a component in cosmetic formulations where chromene motifs contribute to aroma. In addition, it can provide a chromene-based scaffold for medicinal-chemistry libraries and may find use as a specialized intermediate or functional component in coatings and inks, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 87.03
    methanol 138.12
    isopropanol 84.09
    water 1.0
    ethyl acetate 169.67
    n-propanol 91.02
    acetone 170.86
    n-butanol 90.39
    acetonitrile 178.49
    DMF 307.13
    toluene 85.23
    isobutanol 69.79
    1,4-dioxane 589.9
    methyl acetate 187.36
    THF 438.83
    2-butanone 152.34
    n-pentanol 62.73
    sec-butanol 59.33
    n-hexane 2.93
    ethylene glycol 48.74
    NMP 159.37
    cyclohexane 13.4
    DMSO 329.33
    n-butyl acetate 101.89
    n-octanol 34.87
    chloroform 540.71
    n-propyl acetate 94.8
    acetic acid 152.34
    dichloromethane 500.59
    cyclohexanone 230.6
    propylene glycol 37.48
    isopropyl acetate 84.39
    DMAc 212.87
    2-ethoxyethanol 162.85
    isopentanol 83.72
    n-heptane 4.69
    ethyl formate 140.41
    1,2-dichloroethane 313.59
    n-hexanol 73.67
    2-methoxyethanol 284.65
    isobutyl acetate 69.3
    tetrachloromethane 72.22
    n-pentyl acetate 59.43
    transcutol 360.39
    n-heptanol 38.45
    ethylbenzene 39.68
    MIBK 76.95
    2-propoxyethanol 169.84
    tert-butanol 164.28
    MTBE 102.85
    2-butoxyethanol 90.85
    propionic acid 100.8
    o-xylene 59.34
    formic acid 73.36
    diethyl ether 116.82
    m-xylene 61.49
    p-xylene 54.16
    chlorobenzene 128.78
    dimethyl carbonate 91.89
    n-octane 2.82
    formamide 129.15
    cyclopentanone 255.05
    2-pentanone 111.02
    anisole 111.91
    cyclopentyl methyl ether 137.4
    gamma-butyrolactone 316.37
    1-methoxy-2-propanol 165.81
    pyridine 219.74
    3-pentanone 100.01
    furfural 298.79
    n-dodecane 3.25
    diethylene glycol 189.05
    diisopropyl ether 29.98
    tert-amyl alcohol 81.72
    acetylacetone 163.45
    n-hexadecane 3.83
    acetophenone 100.71
    methyl propionate 129.42
    isopentyl acetate 91.28
    trichloroethylene 502.36
    n-nonanol 33.84
    cyclohexanol 102.13
    benzyl alcohol 92.48
    2-ethylhexanol 47.23
    isooctanol 35.65
    dipropyl ether 50.35
    1,2-dichlorobenzene 123.12
    ethyl lactate 57.03
    propylene carbonate 153.15
    n-methylformamide 162.15
    2-pentanol 48.52
    n-pentane 3.82
    1-propoxy-2-propanol 97.07
    1-methoxy-2-propyl acetate 115.08
    2-(2-methoxypropoxy) propanol 91.16
    mesitylene 40.43
    ε-caprolactone 181.15
    p-cymene 32.11
    epichlorohydrin 410.8
    1,1,1-trichloroethane 247.41
    2-aminoethanol 66.73
    morpholine-4-carbaldehyde 291.36
    sulfolane 275.71
    2,2,4-trimethylpentane 4.92
    2-methyltetrahydrofuran 230.25
    n-hexyl acetate 80.11
    isooctane 4.37
    2-(2-butoxyethoxy)ethanol 122.22
    sec-butyl acetate 63.75
    tert-butyl acetate 100.21
    decalin 8.04
    glycerin 83.47
    diglyme 264.43
    acrylic acid 99.59
    isopropyl myristate 36.25
    n-butyric acid 133.05
    acetyl acetate 125.53
    di(2-ethylhexyl) phthalate 43.93
    ethyl propionate 83.06
    nitromethane 327.12
    1,2-diethoxyethane 122.21
    benzonitrile 121.54
    trioctyl phosphate 30.66
    1-bromopropane 101.55
    gamma-valerolactone 341.54
    n-decanol 26.74
    triethyl phosphate 54.52
    4-methyl-2-pentanol 38.43
    propionitrile 136.26
    vinylene carbonate 181.72
    1,1,2-trichlorotrifluoroethane 225.68
    DMS 101.71
    cumene 31.68
    2-octanol 26.01
    2-hexanone 81.58
    octyl acetate 44.22
    limonene 40.2
    1,2-dimethoxyethane 286.61
    ethyl orthosilicate 50.79
    tributyl phosphate 38.92
    diacetone alcohol 115.5
    N,N-dimethylaniline 67.75
    acrylonitrile 178.52
    aniline 121.35
    1,3-propanediol 133.65
    bromobenzene 130.59
    dibromomethane 262.81
    1,1,2,2-tetrachloroethane 365.43
    2-methyl-cyclohexyl acetate 72.23
    tetrabutyl urea 47.76
    diisobutyl methanol 32.08
    2-phenylethanol 90.68
    styrene 47.72
    dioctyl adipate 54.82
    dimethyl sulfate 128.12
    ethyl butyrate 74.27
    methyl lactate 71.55
    butyl lactate 50.33
    diethyl carbonate 67.52
    propanediol butyl ether 69.85
    triethyl orthoformate 63.18
    p-tert-butyltoluene 32.24
    methyl 4-tert-butylbenzoate 84.77
    morpholine 444.61
    tert-butylamine 77.59
    n-dodecanol 21.44
    dimethoxymethane 244.06
    ethylene carbonate 163.27
    cyrene 109.93
    2-ethoxyethyl acetate 109.69
    2-ethylhexyl acetate 72.92
    1,2,4-trichlorobenzene 144.01
    4-methylpyridine 183.84
    dibutyl ether 42.97
    2,6-dimethyl-4-heptanol 32.08
    DEF 118.53
    dimethyl isosorbide 161.53
    tetrachloroethylene 233.52
    eugenol 82.71
    triacetin 95.62
    span 80 68.71
    1,4-butanediol 50.43
    1,1-dichloroethane 235.74
    2-methyl-1-pentanol 62.19
    methyl formate 177.52
    2-methyl-1-butanol 66.63
    n-decane 5.03
    butyronitrile 125.14
    3,7-dimethyl-1-octanol 40.9
    1-chlorooctane 24.74
    1-chlorotetradecane 11.84
    n-nonane 4.19
    undecane 3.9
    tert-butylcyclohexane 7.45
    cyclooctane 4.99
    cyclopentanol 108.92
    tetrahydropyran 293.2
    tert-amyl methyl ether 65.57
    2,5,8-trioxanonane 179.6
    1-hexene 15.31
    2-isopropoxyethanol 105.42
    2,2,2-trifluoroethanol 82.05
    methyl butyrate 102.65

    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