2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-amine

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  • Identifiers

    CAS number
    68298-46-4

    Molecular formula
    C10H13NO

    SMILES
    CC1(CC2=C(O1)C(=CC=C2)N)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 47.42%
    Phenolic 41.4%
    Animal 33.66%
    Woody 33.46%
    Fruity 32.87%
    Musk 31.17%
    Powdery 29.75%
    Leathery 29.26%
    Musty 27.93%
    Dry 26.33%

     

    Flavor
    Woody 33.97%
    Sweet 33.44%
    Phenolic 32.77%
    Bitter 31.44%
    Earthy 31.01%
    Musty 29.87%
    Floral 29.76%
    Powdery 27.93%
    Spicy 27.87%
    Camphor 26.86%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    6.41 (neutral)

    Molecular weight
    163.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    277°C

    Flash point

    • 122.99 ˚C est.

  • Synonyms

    • 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-amine
    • 68298-46-4
    • 2,2-dimethyl-3H-1-benzofuran-7-amine
    • 2,3-Dihydro-2,2-dimethylbenzofuran-7-amine
    • 7-Amino-2,3-dihydro-2,2-dimethylbenzofuran
    • 7-Benzofuranamine, 2,3-dihydro-2,2-dimethyl-
    • EINECS 269-570-8
    • 2,3-Dihydro-2,2-dimethyl-7-aminobenzofuran
    • C3E03FDP2F
    • DTXSID2044715
    • DTXCID0024715
    • 2,2-Dimethyl-2,3-dihydrobenzofuran-7-amine
    • (2,2-DIMETHYL-2,3-DIHYDROBENZOFURAN-7-YL)AMINE
    • UNII-C3E03FDP2F
    • MFCD00075581
    • 2,3-Dihydro-2,2-dimethyl-7-benzofuranamine
    • SCHEMBL569823
    • CHEMBL3185165
    • Tox21_301957
    • AKOS006283217
    • NCGC00256192-01
    • MS-22196
    • CAS-68298-46-4
    • DB-010794
    • CS-0236881
    • NS00022682
    • EN300-174657
    • G30355
    • 2,2-dimethyl-2,3-dihydro-benzofuran-7-ylamine
    • 2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-amine #
    • Q27275144
    • Z1198150086
    • InChI=1/C10H13NO/c1-10(2)6-7-4-3-5-8(11)9(7)12-10/h3-5H,6,11H2,1-2H

  • Applications

    2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-amine is primarily used as a synthetic intermediate in pharmaceutical manufacturing and medicinal chemistry research, serving as a building block to construct benzofuran derivatives and to expand chemical libraries. It is commonly employed as a scaffold for benzofuran-containing compounds in drug discovery and lead-generation efforts. As a specialty intermediate, it is supplied to contract manufacturers and research groups for custom syntheses. Additionally, depending on local regulations and formulation constraints, it may be considered as a scaffold for agrochemical research when appropriate.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 77.67
    methanol 128.89
    isopropanol 68.57
    water 3.5
    ethyl acetate 93.4
    n-propanol 73.42
    acetone 146.01
    n-butanol 68.14
    acetonitrile 106.45
    DMF 178.45
    toluene 38.79
    isobutanol 59.09
    1,4-dioxane 180.21
    methyl acetate 114.57
    THF 278.74
    2-butanone 118.08
    n-pentanol 60.66
    sec-butanol 62.87
    n-hexane 8.3
    ethylene glycol 66.61
    NMP 148.02
    cyclohexane 7.4
    DMSO 184.26
    n-butyl acetate 80.41
    n-octanol 74.37
    chloroform 204.37
    n-propyl acetate 63.61
    acetic acid 81.8
    dichloromethane 167.34
    cyclohexanone 125.47
    propylene glycol 75.99
    isopropyl acetate 63.33
    DMAc 182.6
    2-ethoxyethanol 115.29
    isopentanol 65.1
    n-heptane 11.91
    ethyl formate 72.57
    1,2-dichloroethane 95.47
    n-hexanol 105.48
    2-methoxyethanol 175.73
    isobutyl acetate 57.53
    tetrachloromethane 36.11
    n-pentyl acetate 65.46
    transcutol 215.21
    n-heptanol 62.95
    ethylbenzene 30.86
    MIBK 70.58
    2-propoxyethanol 195.66
    tert-butanol 89.92
    MTBE 83.21
    2-butoxyethanol 107.86
    propionic acid 74.76
    o-xylene 33.17
    formic acid 51.25
    diethyl ether 79.25
    m-xylene 42.29
    p-xylene 41.07
    chlorobenzene 66.14
    dimethyl carbonate 68.59
    n-octane 8.73
    formamide 46.77
    cyclopentanone 172.81
    2-pentanone 88.91
    anisole 81.44
    cyclopentyl methyl ether 101.31
    gamma-butyrolactone 188.32
    1-methoxy-2-propanol 140.5
    pyridine 89.17
    3-pentanone 77.96
    furfural 170.19
    n-dodecane 10.25
    diethylene glycol 196.49
    diisopropyl ether 31.86
    tert-amyl alcohol 72.82
    acetylacetone 119.22
    n-hexadecane 11.16
    acetophenone 76.15
    methyl propionate 91.88
    isopentyl acetate 81.57
    trichloroethylene 169.96
    n-nonanol 63.19
    cyclohexanol 55.26
    benzyl alcohol 67.34
    2-ethylhexanol 62.69
    isooctanol 51.87
    dipropyl ether 60.58
    1,2-dichlorobenzene 70.84
    ethyl lactate 62.68
    propylene carbonate 113.99
    n-methylformamide 87.36
    2-pentanol 52.37
    n-pentane 7.95
    1-propoxy-2-propanol 118.37
    1-methoxy-2-propyl acetate 104.15
    2-(2-methoxypropoxy) propanol 102.01
    mesitylene 28.41
    ε-caprolactone 116.21
    p-cymene 32.44
    epichlorohydrin 194.23
    1,1,1-trichloroethane 100.97
    2-aminoethanol 75.84
    morpholine-4-carbaldehyde 190.92
    sulfolane 209.74
    2,2,4-trimethylpentane 7.89
    2-methyltetrahydrofuran 135.96
    n-hexyl acetate 98.38
    isooctane 7.48
    2-(2-butoxyethoxy)ethanol 125.38
    sec-butyl acetate 47.92
    tert-butyl acetate 72.78
    decalin 9.43
    glycerin 125.24
    diglyme 198.34
    acrylic acid 74.72
    isopropyl myristate 46.99
    n-butyric acid 83.86
    acetyl acetate 73.16
    di(2-ethylhexyl) phthalate 53.35
    ethyl propionate 61.69
    nitromethane 162.32
    1,2-diethoxyethane 88.77
    benzonitrile 78.61
    trioctyl phosphate 43.03
    1-bromopropane 60.38
    gamma-valerolactone 204.79
    n-decanol 51.79
    triethyl phosphate 44.86
    4-methyl-2-pentanol 46.15
    propionitrile 76.43
    vinylene carbonate 113.3
    1,1,2-trichlorotrifluoroethane 139.5
    DMS 92.75
    cumene 29.69
    2-octanol 51.44
    2-hexanone 74.21
    octyl acetate 59.5
    limonene 39.58
    1,2-dimethoxyethane 171.35
    ethyl orthosilicate 42.35
    tributyl phosphate 48.29
    diacetone alcohol 90.54
    N,N-dimethylaniline 57.81
    acrylonitrile 88.96
    aniline 52.3
    1,3-propanediol 83.76
    bromobenzene 64.6
    dibromomethane 105.54
    1,1,2,2-tetrachloroethane 141.06
    2-methyl-cyclohexyl acetate 67.06
    tetrabutyl urea 58.76
    diisobutyl methanol 39.3
    2-phenylethanol 87.96
    styrene 33.99
    dioctyl adipate 59.16
    dimethyl sulfate 105.36
    ethyl butyrate 59.64
    methyl lactate 81.96
    butyl lactate 65.15
    diethyl carbonate 49.03
    propanediol butyl ether 109.46
    triethyl orthoformate 50.56
    p-tert-butyltoluene 33.03
    methyl 4-tert-butylbenzoate 85.53
    morpholine 147.98
    tert-butylamine 55.65
    n-dodecanol 42.75
    dimethoxymethane 158.81
    ethylene carbonate 92.42
    cyrene 101.23
    2-ethoxyethyl acetate 89.84
    2-ethylhexyl acetate 65.66
    1,2,4-trichlorobenzene 85.51
    4-methylpyridine 89.13
    dibutyl ether 57.96
    2,6-dimethyl-4-heptanol 39.3
    DEF 82.9
    dimethyl isosorbide 150.57
    tetrachloroethylene 90.39
    eugenol 92.23
    triacetin 94.38
    span 80 88.37
    1,4-butanediol 60.05
    1,1-dichloroethane 97.56
    2-methyl-1-pentanol 58.11
    methyl formate 97.04
    2-methyl-1-butanol 60.59
    n-decane 14.9
    butyronitrile 73.81
    3,7-dimethyl-1-octanol 65.4
    1-chlorooctane 48.44
    1-chlorotetradecane 24.43
    n-nonane 14.2
    undecane 12.08
    tert-butylcyclohexane 11.25
    cyclooctane 5.28
    cyclopentanol 70.18
    tetrahydropyran 115.86
    tert-amyl methyl ether 66.88
    2,5,8-trioxanonane 150.53
    1-hexene 28.48
    2-isopropoxyethanol 87.1
    2,2,2-trifluoroethanol 55.48
    methyl butyrate 74.48

    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