3,4-Dihydro-6-methylcoumarin

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  • Identifiers

    CAS number
    92-47-7

    Molecular formula
    C10H10O2

    SMILES
    CC1=CC2=C(C=C1)OC(=O)CC2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Coumarinic 69.42%
    Sweet 62.95%
    Coconut 61.0%
    Hay 49.98%
    Floral 48.27%
    Spicy 42.41%
    Phenolic 42.0%
    Powdery 41.61%
    Tobacco 40.72%
    Creamy 39.35%

     

    Flavor
    Sweet 70.1%
    Tonka 52.3%
    Herbal 49.7%
    Coconut 47.63%
    Tobacco 46.9%
    Coumarin 43.34%
    Woody 38.92%
    Bitter 35.8%
    Powdery 32.42%
    Minty 32.08%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    7.74 (neutral)

    Molecular weight
    162.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    302°C

    Flash point

    • 119.52 ˚C est.

  • Synonyms

    • 92-47-7
    • 3,4-Dihydro-6-methylcoumarin
    • 6-Methyl-3,4-dihydrocoumarin
    • 6-Methylchroman-2-one
    • 6-Methylhydrocoumarin
    • Hydrocoumarin, 6-methyl-
    • 6-methyl-3,4-dihydrochromen-2-one
    • 3,4-Dihydro-6-methyl-2H-1-benzopyran-2-one
    • 2H-1-Benzopyran-2-one, 3,4-dihydro-6-methyl-
    • 8FQ6538M2N
    • EINECS 202-157-2
    • NSC 19513
    • NSC-19513
    • AI3-24744
    • DTXSID8059055
    • 6-Methyl-3,4-dihydro-2H-1-benzopyran-2-one
    • 6-Methyl-2-chromanone
    • UNII-8FQ6538M2N
    • NSC19513
    • 6-methyl-chroman-2-one
    • 6-Methyl-2-chromanone #
    • 6-Methylchromanone, AldrichCPR
    • SCHEMBL3504905
    • DTXCID0048761
    • Hydrocoumarin, 6-methyl-(8CI)
    • NS00039463
    • 2H-1-Benzopyran-2-one,4-dihydro-6-methyl-
    • Q27270340
    • 202-157-2

  • Applications

    3,4-Dihydro-6-methylcoumarin (CAS 92-47-7) is primarily used as a fragrance ingredient and aroma precursor in perfumery and cosmetics, contributing a sweet, vanilla-like note and sometimes acting as a fixative in formulations. It is also employed as an intermediate in the industrial synthesis of other aroma compounds and specialty chemicals. In addition, it may be evaluated for flavor applications or incorporated into household products such as air fresheners and cleaners as a scent component. In polymer and coating sectors, it can serve as an aroma additive or chemical building block during formulation or processing, under appropriate regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 79.94
    methanol 95.15
    isopropanol 54.33
    water 0.76
    ethyl acetate 130.71
    n-propanol 58.39
    acetone 337.16
    n-butanol 52.14
    acetonitrile 166.2
    DMF 548.3
    toluene 85.2
    isobutanol 39.7
    1,4-dioxane 334.9
    methyl acetate 202.41
    THF 331.78
    2-butanone 231.9
    n-pentanol 51.73
    sec-butanol 52.68
    n-hexane 6.19
    ethylene glycol 46.21
    NMP 480.78
    cyclohexane 4.45
    DMSO 795.31
    n-butyl acetate 130.38
    n-octanol 34.22
    chloroform 306.94
    n-propyl acetate 111.5
    acetic acid 106.61
    dichloromethane 418.63
    cyclohexanone 213.76
    propylene glycol 38.46
    isopropyl acetate 79.77
    DMAc 413.22
    2-ethoxyethanol 161.31
    isopentanol 53.58
    n-heptane 3.36
    ethyl formate 114.73
    1,2-dichloroethane 311.91
    n-hexanol 54.89
    2-methoxyethanol 216.93
    isobutyl acetate 60.83
    tetrachloromethane 40.72
    n-pentyl acetate 81.63
    transcutol 1048.8
    n-heptanol 29.71
    ethylbenzene 62.46
    MIBK 83.28
    2-propoxyethanol 163.25
    tert-butanol 73.77
    MTBE 93.18
    2-butoxyethanol 98.9
    propionic acid 86.83
    o-xylene 66.2
    formic acid 76.99
    diethyl ether 94.37
    m-xylene 62.74
    p-xylene 71.16
    chlorobenzene 156.42
    dimethyl carbonate 112.2
    n-octane 1.54
    formamide 176.44
    cyclopentanone 335.75
    2-pentanone 139.89
    anisole 211.93
    cyclopentyl methyl ether 112.32
    gamma-butyrolactone 387.21
    1-methoxy-2-propanol 155.46
    pyridine 242.74
    3-pentanone 119.93
    furfural 445.29
    n-dodecane 1.54
    diethylene glycol 168.69
    diisopropyl ether 30.13
    tert-amyl alcohol 66.28
    acetylacetone 243.28
    n-hexadecane 1.86
    acetophenone 186.43
    methyl propionate 132.58
    isopentyl acetate 111.32
    trichloroethylene 621.15
    n-nonanol 29.96
    cyclohexanol 43.73
    benzyl alcohol 121.91
    2-ethylhexanol 36.58
    isooctanol 26.48
    dipropyl ether 44.12
    1,2-dichlorobenzene 171.11
    ethyl lactate 65.52
    propylene carbonate 187.37
    n-methylformamide 222.25
    2-pentanol 38.86
    n-pentane 3.93
    1-propoxy-2-propanol 108.41
    1-methoxy-2-propyl acetate 153.54
    2-(2-methoxypropoxy) propanol 158.17
    mesitylene 37.36
    ε-caprolactone 202.51
    p-cymene 33.52
    epichlorohydrin 551.95
    1,1,1-trichloroethane 198.02
    2-aminoethanol 58.97
    morpholine-4-carbaldehyde 470.36
    sulfolane 511.43
    2,2,4-trimethylpentane 4.81
    2-methyltetrahydrofuran 207.02
    n-hexyl acetate 129.69
    isooctane 3.54
    2-(2-butoxyethoxy)ethanol 212.52
    sec-butyl acetate 71.74
    tert-butyl acetate 105.76
    decalin 8.03
    glycerin 77.44
    diglyme 433.29
    acrylic acid 108.08
    isopropyl myristate 42.25
    n-butyric acid 82.83
    acetyl acetate 103.12
    di(2-ethylhexyl) phthalate 56.0
    ethyl propionate 92.51
    nitromethane 450.13
    1,2-diethoxyethane 196.97
    benzonitrile 163.85
    trioctyl phosphate 33.48
    1-bromopropane 93.22
    gamma-valerolactone 466.59
    n-decanol 21.78
    triethyl phosphate 58.32
    4-methyl-2-pentanol 28.0
    propionitrile 90.98
    vinylene carbonate 186.8
    1,1,2-trichlorotrifluoroethane 276.58
    DMS 183.12
    cumene 42.22
    2-octanol 22.08
    2-hexanone 130.5
    octyl acetate 56.67
    limonene 38.45
    1,2-dimethoxyethane 313.03
    ethyl orthosilicate 52.1
    tributyl phosphate 51.64
    diacetone alcohol 131.6
    N,N-dimethylaniline 120.14
    acrylonitrile 165.09
    aniline 108.01
    1,3-propanediol 84.29
    bromobenzene 164.77
    dibromomethane 203.73
    1,1,2,2-tetrachloroethane 365.9
    2-methyl-cyclohexyl acetate 80.83
    tetrabutyl urea 67.6
    diisobutyl methanol 25.47
    2-phenylethanol 108.48
    styrene 82.91
    dioctyl adipate 73.94
    dimethyl sulfate 230.82
    ethyl butyrate 78.43
    methyl lactate 87.62
    butyl lactate 81.21
    diethyl carbonate 69.59
    propanediol butyl ether 123.23
    triethyl orthoformate 61.12
    p-tert-butyltoluene 33.44
    methyl 4-tert-butylbenzoate 125.0
    morpholine 286.95
    tert-butylamine 41.49
    n-dodecanol 16.0
    dimethoxymethane 238.03
    ethylene carbonate 135.14
    cyrene 141.94
    2-ethoxyethyl acetate 176.6
    2-ethylhexyl acetate 92.95
    1,2,4-trichlorobenzene 218.37
    4-methylpyridine 256.33
    dibutyl ether 54.14
    2,6-dimethyl-4-heptanol 25.47
    DEF 170.05
    dimethyl isosorbide 260.34
    tetrachloroethylene 218.02
    eugenol 135.43
    triacetin 157.92
    span 80 101.94
    1,4-butanediol 45.23
    1,1-dichloroethane 202.52
    2-methyl-1-pentanol 54.37
    methyl formate 212.76
    2-methyl-1-butanol 48.65
    n-decane 2.57
    butyronitrile 80.36
    3,7-dimethyl-1-octanol 41.24
    1-chlorooctane 21.88
    1-chlorotetradecane 8.28
    n-nonane 2.33
    undecane 1.93
    tert-butylcyclohexane 8.49
    cyclooctane 2.43
    cyclopentanol 57.04
    tetrahydropyran 141.32
    tert-amyl methyl ether 71.83
    2,5,8-trioxanonane 278.12
    1-hexene 27.82
    2-isopropoxyethanol 115.4
    2,2,2-trifluoroethanol 74.87
    methyl butyrate 120.14

    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