(2R,4R)-4-Ethenyl-3,4-dihydro-6-hydroxy-alpha,alpha,7-trimethyl-2H-1-benzopyran-2-methanol

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  • Identifiers

    CAS number
    241139-49-1

    Molecular formula
    C15H20O3

    SMILES
    CC1=CC2=C(C=C1O)[C@H](C[C@@H](O2)C(C)(C)O)C=C

    Safety labels

  • Odor profile

    Fragrance
    Spicy 52.56%
    Sweet 50.74%
    Woody 44.87%
    Phenolic 41.13%
    Herbal 34.29%
    Smoky 29.11%
    Floral 26.8%
    Mint 26.79%
    Vanilla 26.4%
    Balsamic 26.13%

     

    Flavor
    Bitter 37.72%
    Floral 36.99%
    Minty 35.56%
    Woody 31.14%
    Sweet 28.07%
    Herbal 27.9%
    Spice 27.62%
    Flower 26.63%
    Spicy 25.63%
    Mild 22.26%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    9.57 (weak base)

    Molecular weight
    248.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    408°C

    Flash point

    • 166.39 ˚C est.

  • Synonyms

    • (2R,4R)-4-Ethenyl-2-(2-hydroxypropan-2-yl)-7-methyl-3,4-dihydro-2H-chromen-6-ol
    • 241139-49-1
    • RefChem:68902
    • (2R,4R)-4-Ethenyl-3,4-dihydro-6-hydroxy-alpha,alpha,7-trimethyl-2H-1-benzopyran-2-methanol
    • DTXSID401131404
    • (2R,4R)-4-ethenyl-2-(2-hydroxypropan-2-yl)-7-methyl-3,4-dihydro-2H-1-benzopyran-6-ol
    • (2R,4R)-4-Ethenyl-3,4-dihydro-6-hydroxy-I+/-,I+/-,7-trimethyl-2H-1-benzopyran-2-methanol
    • 241139-49-1

  • Applications

    For the compound (2R,4R)-4-Ethenyl-3,4-dihydro-6-hydroxy-alpha,alpha,7-trimethyl-2H-1-benzopyran-2-methanol (CAS 241139-49-1), real-world applications are centered in fragrance chemistry and cosmetics: it is used as a fragrance ingredient or odorant precursor and may serve as a fixative or fragrance-building block; in cosmetics/personal care as an ingredient or intermediate; in household products as a fragrance additive; as an industrial manufacturing intermediate and building block for specialty chemicals; and as a building block for polymers, coatings, or inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 400.58
    methanol 587.04
    isopropanol 432.89
    water 2.2
    ethyl acetate 228.89
    n-propanol 309.73
    acetone 333.97
    n-butanol 297.47
    acetonitrile 152.06
    DMF 493.07
    toluene 77.59
    isobutanol 241.17
    1,4-dioxane 721.89
    methyl acetate 273.51
    THF 899.93
    2-butanone 278.77
    n-pentanol 215.25
    sec-butanol 252.73
    n-hexane 4.12
    ethylene glycol 107.3
    NMP 138.78
    cyclohexane 10.13
    DMSO 377.01
    n-butyl acetate 180.36
    n-octanol 109.36
    chloroform 253.96
    n-propyl acetate 159.86
    acetic acid 212.53
    dichloromethane 185.05
    cyclohexanone 235.73
    propylene glycol 190.3
    isopropyl acetate 157.16
    DMAc 419.58
    2-ethoxyethanol 426.73
    isopentanol 271.13
    n-heptane 6.32
    ethyl formate 180.59
    1,2-dichloroethane 128.61
    n-hexanol 230.77
    2-methoxyethanol 642.57
    isobutyl acetate 134.36
    tetrachloromethane 26.43
    n-pentyl acetate 112.65
    transcutol 729.58
    n-heptanol 108.98
    ethylbenzene 55.91
    MIBK 139.59
    2-propoxyethanol 412.49
    tert-butanol 560.01
    MTBE 290.08
    2-butoxyethanol 217.13
    propionic acid 146.52
    o-xylene 55.9
    formic acid 125.54
    diethyl ether 174.61
    m-xylene 66.51
    p-xylene 77.63
    chlorobenzene 85.9
    dimethyl carbonate 99.27
    n-octane 5.43
    formamide 205.6
    cyclopentanone 271.48
    2-pentanone 189.6
    anisole 161.49
    cyclopentyl methyl ether 173.45
    gamma-butyrolactone 258.72
    1-methoxy-2-propanol 446.25
    pyridine 204.94
    3-pentanone 116.82
    furfural 259.62
    n-dodecane 7.01
    diethylene glycol 361.32
    diisopropyl ether 51.39
    tert-amyl alcohol 321.54
    acetylacetone 230.48
    n-hexadecane 7.89
    acetophenone 128.19
    methyl propionate 156.73
    isopentyl acetate 189.67
    trichloroethylene 237.85
    n-nonanol 96.4
    cyclohexanol 173.99
    benzyl alcohol 162.43
    2-ethylhexanol 106.53
    isooctanol 90.15
    dipropyl ether 84.71
    1,2-dichlorobenzene 75.39
    ethyl lactate 99.87
    propylene carbonate 162.97
    n-methylformamide 209.16
    2-pentanol 185.04
    n-pentane 4.54
    1-propoxy-2-propanol 264.99
    1-methoxy-2-propyl acetate 195.6
    2-(2-methoxypropoxy) propanol 203.67
    mesitylene 44.21
    ε-caprolactone 194.12
    p-cymene 39.11
    epichlorohydrin 347.08
    1,1,1-trichloroethane 107.82
    2-aminoethanol 206.33
    morpholine-4-carbaldehyde 385.72
    sulfolane 211.21
    2,2,4-trimethylpentane 7.56
    2-methyltetrahydrofuran 330.03
    n-hexyl acetate 152.73
    isooctane 7.49
    2-(2-butoxyethoxy)ethanol 305.91
    sec-butyl acetate 115.54
    tert-butyl acetate 170.54
    decalin 9.28
    glycerin 231.75
    diglyme 490.57
    acrylic acid 111.6
    isopropyl myristate 67.42
    n-butyric acid 227.17
    acetyl acetate 144.53
    di(2-ethylhexyl) phthalate 74.26
    ethyl propionate 110.77
    nitromethane 331.46
    1,2-diethoxyethane 253.36
    benzonitrile 129.47
    trioctyl phosphate 57.48
    1-bromopropane 63.0
    gamma-valerolactone 440.97
    n-decanol 75.51
    triethyl phosphate 61.3
    4-methyl-2-pentanol 128.62
    propionitrile 140.65
    vinylene carbonate 164.49
    1,1,2-trichlorotrifluoroethane 207.85
    DMS 116.6
    cumene 42.76
    2-octanol 80.03
    2-hexanone 162.47
    octyl acetate 87.38
    limonene 49.73
    1,2-dimethoxyethane 628.86
    ethyl orthosilicate 64.43
    tributyl phosphate 66.43
    diacetone alcohol 242.67
    N,N-dimethylaniline 102.74
    acrylonitrile 155.34
    aniline 130.83
    1,3-propanediol 354.04
    bromobenzene 74.9
    dibromomethane 101.05
    1,1,2,2-tetrachloroethane 218.84
    2-methyl-cyclohexyl acetate 101.81
    tetrabutyl urea 83.3
    diisobutyl methanol 68.2
    2-phenylethanol 162.55
    styrene 60.4
    dioctyl adipate 88.2
    dimethyl sulfate 119.93
    ethyl butyrate 108.98
    methyl lactate 120.47
    butyl lactate 108.33
    diethyl carbonate 77.55
    propanediol butyl ether 222.53
    triethyl orthoformate 87.08
    p-tert-butyltoluene 41.6
    methyl 4-tert-butylbenzoate 117.94
    morpholine 665.3
    tert-butylamine 228.37
    n-dodecanol 59.79
    dimethoxymethane 370.66
    ethylene carbonate 154.34
    cyrene 166.3
    2-ethoxyethyl acetate 171.27
    2-ethylhexyl acetate 127.2
    1,2,4-trichlorobenzene 91.54
    4-methylpyridine 214.07
    dibutyl ether 97.99
    2,6-dimethyl-4-heptanol 68.2
    DEF 163.08
    dimethyl isosorbide 276.67
    tetrachloroethylene 127.02
    eugenol 136.48
    triacetin 148.46
    span 80 151.21
    1,4-butanediol 170.38
    1,1-dichloroethane 135.24
    2-methyl-1-pentanol 178.15
    methyl formate 195.51
    2-methyl-1-butanol 207.66
    n-decane 10.34
    butyronitrile 168.7
    3,7-dimethyl-1-octanol 111.98
    1-chlorooctane 45.99
    1-chlorotetradecane 21.27
    n-nonane 8.59
    undecane 8.35
    tert-butylcyclohexane 10.39
    cyclooctane 4.94
    cyclopentanol 173.09
    tetrahydropyran 410.6
    tert-amyl methyl ether 155.32
    2,5,8-trioxanonane 361.56
    1-hexene 25.33
    2-isopropoxyethanol 285.2
    2,2,2-trifluoroethanol 82.53
    methyl butyrate 158.98

    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