(2R,3R)-7-methoxy-3-methyl-5-[(1E)-prop-1-en-1-yl]-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran

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  • Identifiers

    CAS number
    60297-83-8

    Molecular formula
    C22H26O5

    SMILES
    C/C=C/C1=CC2=C(C(=C1)OC)O[C@H]([C@@H]2C)C3=CC(=C(C(=C3)OC)OC)OC

    Safety labels

  • Odor profile

    Fragrance
    Spicy 72.58%
    Floral 58.13%
    Vanilla 40.2%
    Woody 38.98%
    Sweet 36.88%
    Balsamic 36.83%
    Phenolic 34.73%
    Powdery 34.56%
    Clove 31.25%
    Warm 30.11%

     

    Flavor
    Bitter 65.39%
    Spice 26.13%
    Parsley 22.78%
    Eugenol 20.1%
    Cedarleaf 19.88%
    Lovage 19.52%
    Bland 19.41%
    Carrot 19.16%
    Heather 18.84%
    Ripe apricot 18.81%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    5.63 (weak acid)

    Molecular weight
    370.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    605°C

    Flash point

    • 150.02 ˚C est.

  • Synonyms

    • Licarin C
    • DTXSID301318653
    • (2R,3R)-7-methoxy-3-methyl-5-[(1E)-prop-1-en-1-yl]-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran
    • 60297-83-8
    • 60297-83-8

  • Applications

    (2R,3R)-7-methoxy-3-methyl-5-[(1E)-prop-1-en-1-yl]-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran (CAS 60297-83-8) is primarily used as a synthetic building block and intermediate in several specialty sectors. In perfumery and cosmetics, it may function as a fragrance intermediate or odor-active scaffold; in pharmaceutical R&D, it is commonly evaluated as a chiral building block for synthesis and lead development; in agrochemical development, it may serve as a scaffold for designing novel agrochemicals; in polymers, coatings, and inks, it can act as a building block for specialty materials; in industrial manufacturing, it may be used as a general chemical intermediate under controlled processes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 26.17
    methanol 20.73
    isopropanol 23.23
    water 0.35
    ethyl acetate 121.93
    n-propanol 27.88
    acetone 123.9
    n-butanol 29.37
    acetonitrile 73.75
    DMF 78.45
    toluene 52.85
    isobutanol 25.65
    1,4-dioxane 150.57
    methyl acetate 100.76
    THF 212.63
    2-butanone 84.64
    n-pentanol 32.04
    sec-butanol 25.13
    n-hexane 4.86
    ethylene glycol 13.43
    NMP 110.33
    cyclohexane 14.97
    DMSO 97.3
    n-butyl acetate 72.92
    n-octanol 30.58
    chloroform 434.72
    n-propyl acetate 81.02
    acetic acid 113.65
    dichloromethane 422.33
    cyclohexanone 142.91
    propylene glycol 10.22
    isopropyl acetate 87.3
    DMAc 115.55
    2-ethoxyethanol 82.47
    isopentanol 36.68
    n-heptane 6.3
    ethyl formate 68.57
    1,2-dichloroethane 232.11
    n-hexanol 36.69
    2-methoxyethanol 77.36
    isobutyl acetate 69.43
    tetrachloromethane 86.26
    n-pentyl acetate 86.32
    transcutol 139.93
    n-heptanol 36.35
    ethylbenzene 33.01
    MIBK 64.78
    2-propoxyethanol 87.92
    tert-butanol 37.74
    MTBE 46.53
    2-butoxyethanol 81.03
    propionic acid 59.21
    o-xylene 39.4
    formic acid 36.19
    diethyl ether 65.1
    m-xylene 38.4
    p-xylene 47.64
    chlorobenzene 101.88
    dimethyl carbonate 91.19
    n-octane 5.18
    formamide 58.37
    cyclopentanone 168.65
    2-pentanone 80.89
    anisole 63.88
    cyclopentyl methyl ether 84.46
    gamma-butyrolactone 201.53
    1-methoxy-2-propanol 58.69
    pyridine 127.68
    3-pentanone 78.97
    furfural 170.05
    n-dodecane 4.63
    diethylene glycol 76.21
    diisopropyl ether 26.35
    tert-amyl alcohol 36.63
    acetylacetone 150.63
    n-hexadecane 5.38
    acetophenone 86.87
    methyl propionate 93.59
    isopentyl acetate 76.49
    trichloroethylene 434.92
    n-nonanol 32.15
    cyclohexanol 49.59
    benzyl alcohol 60.37
    2-ethylhexanol 32.73
    isooctanol 35.36
    dipropyl ether 37.43
    1,2-dichlorobenzene 115.77
    ethyl lactate 45.06
    propylene carbonate 125.34
    n-methylformamide 47.06
    2-pentanol 26.23
    n-pentane 5.01
    1-propoxy-2-propanol 56.34
    1-methoxy-2-propyl acetate 90.18
    2-(2-methoxypropoxy) propanol 64.52
    mesitylene 27.18
    ε-caprolactone 137.08
    p-cymene 29.42
    epichlorohydrin 259.81
    1,1,1-trichloroethane 230.59
    2-aminoethanol 19.18
    morpholine-4-carbaldehyde 133.96
    sulfolane 187.6
    2,2,4-trimethylpentane 5.31
    2-methyltetrahydrofuran 111.98
    n-hexyl acetate 77.79
    isooctane 3.68
    2-(2-butoxyethoxy)ethanol 78.07
    sec-butyl acetate 64.03
    tert-butyl acetate 88.86
    decalin 8.8
    glycerin 26.67
    diglyme 169.64
    acrylic acid 68.5
    isopropyl myristate 35.38
    n-butyric acid 83.04
    acetyl acetate 139.59
    di(2-ethylhexyl) phthalate 43.3
    ethyl propionate 72.94
    nitromethane 188.67
    1,2-diethoxyethane 77.76
    benzonitrile 79.79
    trioctyl phosphate 33.66
    1-bromopropane 81.15
    gamma-valerolactone 190.69
    n-decanol 24.24
    triethyl phosphate 51.54
    4-methyl-2-pentanol 24.34
    propionitrile 57.27
    vinylene carbonate 127.91
    1,1,2-trichlorotrifluoroethane 188.07
    DMS 91.52
    cumene 27.33
    2-octanol 26.07
    2-hexanone 68.02
    octyl acetate 44.56
    limonene 32.19
    1,2-dimethoxyethane 123.22
    ethyl orthosilicate 48.89
    tributyl phosphate 37.37
    diacetone alcohol 79.2
    N,N-dimethylaniline 45.48
    acrylonitrile 77.56
    aniline 53.88
    1,3-propanediol 37.54
    bromobenzene 116.76
    dibromomethane 238.63
    1,1,2,2-tetrachloroethane 293.41
    2-methyl-cyclohexyl acetate 73.02
    tetrabutyl urea 46.5
    diisobutyl methanol 22.47
    2-phenylethanol 68.18
    styrene 37.12
    dioctyl adipate 56.62
    dimethyl sulfate 125.38
    ethyl butyrate 64.72
    methyl lactate 49.53
    butyl lactate 53.41
    diethyl carbonate 60.43
    propanediol butyl ether 44.81
    triethyl orthoformate 56.05
    p-tert-butyltoluene 26.64
    methyl 4-tert-butylbenzoate 82.2
    morpholine 123.49
    tert-butylamine 22.88
    n-dodecanol 19.07
    dimethoxymethane 114.98
    ethylene carbonate 114.41
    cyrene 96.57
    2-ethoxyethyl acetate 118.62
    2-ethylhexyl acetate 65.0
    1,2,4-trichlorobenzene 128.49
    4-methylpyridine 96.96
    dibutyl ether 35.37
    2,6-dimethyl-4-heptanol 22.47
    DEF 91.44
    dimethyl isosorbide 127.95
    tetrachloroethylene 233.26
    eugenol 75.12
    triacetin 96.41
    span 80 50.26
    1,4-butanediol 24.74
    1,1-dichloroethane 165.65
    2-methyl-1-pentanol 40.54
    methyl formate 61.35
    2-methyl-1-butanol 32.49
    n-decane 7.68
    butyronitrile 51.45
    3,7-dimethyl-1-octanol 28.87
    1-chlorooctane 28.89
    1-chlorotetradecane 13.25
    n-nonane 6.71
    undecane 5.68
    tert-butylcyclohexane 7.03
    cyclooctane 6.45
    cyclopentanol 49.47
    tetrahydropyran 102.33
    tert-amyl methyl ether 41.49
    2,5,8-trioxanonane 115.44
    1-hexene 15.09
    2-isopropoxyethanol 74.0
    2,2,2-trifluoroethanol 80.69
    methyl butyrate 80.13

    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