N,N-Dimethyl-6-propyl-5H-indeno(5,6-d)-1,3-dioxol-5-amine

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  • Identifiers

    CAS number
    51003-80-6

    Molecular formula
    C15H19NO2

    SMILES
    CCCC1=CC2=CC3=C(C=C2C1N(C)C)OCO3

  • Odor profile

    Fragrance
    Spicy 32.15%
    Animal 28.82%
    Odorless 25.12%
    Fruity 23.63%
    Woody 23.6%
    Fresh 23.44%
    Sweet 23.24%
    Floral 20.66%
    Phenolic 20.12%
    Mint 18.97%

     

    Flavor
    Bitter 68.3%
    Bland 22.75%
    Cedarleaf 21.46%
    Parsley 20.12%
    Lovage 20.01%
    Carrot 19.43%
    Green pepper 19.29%
    Ripe apricot 18.67%
    Outdoor 18.46%
    Sweet-like 18.43%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    6.91 (neutral)

    Molecular weight
    245.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    330°C

    Flash point

    • 209.2 ˚C est.

  • Synonyms

    • 51003-80-6
    • N,N-Dimethyl-6-propyl-5H-indeno(5,6-d)-1,3-dioxol-5-amine
    • 5H-Indeno(5,6-d)-1,3-dioxol-5-amine, N,N-dimethyl-6-propyl-
    • N,N-Dimethyl-6-propyl-5H-indeno[5,6-d]-1,3-dioxol-5-amine
    • 5H-Indeno[5,6-d]-1,3-dioxol-5-amine, N,N-dimethyl-6-propyl-
    • NG7U9G9ZUV
    • CHEMBL344141
    • DTXSID60965287
    • N,N-DIMETHYL-6-PROPYL-2H,5H-INDENO[5,6-D][1,3]DIOXOL-5-AMINE

  • Applications

    N,N-Dimethyl-6-propyl-5H-indeno(5,6-d)-1,3-dioxol-5-amine (CAS 51003-80-6) is primarily used as a synthetic building block in organic chemistry. In pharmaceutical development it may serve as an intermediate for the preparation of novel amine-containing scaffolds; in agrochemical synthesis it is often evaluated as a precursor to active ingredients. In fragrance and flavor applications, it can be explored as a structural fragment for odorant-related compounds or used as a protected amine in multistep syntheses. In polymer and materials research, the indene-dioxole motif offers a handle for functionalization to create functionalized polymers or coatings. Its use is typically limited to research and formulation development under appropriate safety and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 82.68
    methanol 92.51
    isopropanol 56.04
    water 0.72
    ethyl acetate 187.83
    n-propanol 77.02
    acetone 194.17
    n-butanol 90.11
    acetonitrile 125.02
    DMF 325.09
    toluene 76.02
    isobutanol 69.39
    1,4-dioxane 244.54
    methyl acetate 175.52
    THF 303.92
    2-butanone 160.54
    n-pentanol 73.71
    sec-butanol 54.51
    n-hexane 3.94
    ethylene glycol 64.12
    NMP 351.57
    cyclohexane 9.77
    DMSO 228.33
    n-butyl acetate 150.81
    n-octanol 42.94
    chloroform 710.84
    n-propyl acetate 146.25
    acetic acid 301.76
    dichloromethane 639.56
    cyclohexanone 261.11
    propylene glycol 47.73
    isopropyl acetate 136.24
    DMAc 310.44
    2-ethoxyethanol 170.24
    isopentanol 98.36
    n-heptane 4.49
    ethyl formate 158.34
    1,2-dichloroethane 332.55
    n-hexanol 82.8
    2-methoxyethanol 249.05
    isobutyl acetate 131.25
    tetrachloromethane 83.99
    n-pentyl acetate 117.55
    transcutol 370.59
    n-heptanol 55.9
    ethylbenzene 43.8
    MIBK 112.21
    2-propoxyethanol 205.47
    tert-butanol 74.29
    MTBE 82.73
    2-butoxyethanol 140.13
    propionic acid 140.03
    o-xylene 57.53
    formic acid 128.39
    diethyl ether 92.58
    m-xylene 68.65
    p-xylene 64.26
    chlorobenzene 170.77
    dimethyl carbonate 142.76
    n-octane 2.84
    formamide 154.89
    cyclopentanone 325.16
    2-pentanone 149.97
    anisole 108.31
    cyclopentyl methyl ether 153.01
    gamma-butyrolactone 396.13
    1-methoxy-2-propanol 166.15
    pyridine 221.75
    3-pentanone 127.78
    furfural 397.26
    n-dodecane 3.37
    diethylene glycol 222.65
    diisopropyl ether 37.46
    tert-amyl alcohol 65.94
    acetylacetone 205.61
    n-hexadecane 3.97
    acetophenone 142.4
    methyl propionate 162.88
    isopentyl acetate 150.89
    trichloroethylene 767.22
    n-nonanol 41.76
    cyclohexanol 102.76
    benzyl alcohol 124.23
    2-ethylhexanol 62.13
    isooctanol 51.39
    dipropyl ether 52.04
    1,2-dichlorobenzene 186.04
    ethyl lactate 100.53
    propylene carbonate 290.48
    n-methylformamide 163.02
    2-pentanol 58.89
    n-pentane 4.73
    1-propoxy-2-propanol 121.94
    1-methoxy-2-propyl acetate 177.74
    2-(2-methoxypropoxy) propanol 124.68
    mesitylene 42.44
    ε-caprolactone 267.75
    p-cymene 41.3
    epichlorohydrin 458.66
    1,1,1-trichloroethane 296.24
    2-aminoethanol 77.11
    morpholine-4-carbaldehyde 362.35
    sulfolane 379.7
    2,2,4-trimethylpentane 6.3
    2-methyltetrahydrofuran 206.82
    n-hexyl acetate 131.9
    isooctane 4.98
    2-(2-butoxyethoxy)ethanol 152.84
    sec-butyl acetate 108.67
    tert-butyl acetate 134.78
    decalin 9.14
    glycerin 111.83
    diglyme 281.73
    acrylic acid 182.77
    isopropyl myristate 51.62
    n-butyric acid 201.98
    acetyl acetate 200.46
    di(2-ethylhexyl) phthalate 74.06
    ethyl propionate 117.39
    nitromethane 399.02
    1,2-diethoxyethane 125.23
    benzonitrile 167.66
    trioctyl phosphate 51.97
    1-bromopropane 122.44
    gamma-valerolactone 406.53
    n-decanol 31.72
    triethyl phosphate 79.93
    4-methyl-2-pentanol 51.38
    propionitrile 101.04
    vinylene carbonate 312.02
    1,1,2-trichlorotrifluoroethane 421.48
    DMS 158.19
    cumene 38.97
    2-octanol 36.84
    2-hexanone 118.09
    octyl acetate 69.79
    limonene 50.72
    1,2-dimethoxyethane 213.67
    ethyl orthosilicate 74.8
    tributyl phosphate 64.28
    diacetone alcohol 135.34
    N,N-dimethylaniline 77.14
    acrylonitrile 151.3
    aniline 125.51
    1,3-propanediol 124.46
    bromobenzene 178.84
    dibromomethane 344.6
    1,1,2,2-tetrachloroethane 522.32
    2-methyl-cyclohexyl acetate 114.85
    tetrabutyl urea 74.28
    diisobutyl methanol 38.22
    2-phenylethanol 119.63
    styrene 51.67
    dioctyl adipate 87.4
    dimethyl sulfate 206.8
    ethyl butyrate 112.74
    methyl lactate 123.4
    butyl lactate 101.16
    diethyl carbonate 101.67
    propanediol butyl ether 102.27
    triethyl orthoformate 91.96
    p-tert-butyltoluene 38.84
    methyl 4-tert-butylbenzoate 126.28
    morpholine 256.6
    tert-butylamine 43.24
    n-dodecanol 25.56
    dimethoxymethane 220.05
    ethylene carbonate 253.18
    cyrene 170.3
    2-ethoxyethyl acetate 182.41
    2-ethylhexyl acetate 130.12
    1,2,4-trichlorobenzene 220.0
    4-methylpyridine 220.5
    dibutyl ether 44.27
    2,6-dimethyl-4-heptanol 38.22
    DEF 187.11
    dimethyl isosorbide 207.9
    tetrachloroethylene 351.79
    eugenol 126.95
    triacetin 155.39
    span 80 100.73
    1,4-butanediol 64.39
    1,1-dichloroethane 266.41
    2-methyl-1-pentanol 81.38
    methyl formate 182.54
    2-methyl-1-butanol 88.56
    n-decane 5.0
    butyronitrile 110.95
    3,7-dimethyl-1-octanol 47.06
    1-chlorooctane 31.55
    1-chlorotetradecane 14.05
    n-nonane 4.05
    undecane 3.97
    tert-butylcyclohexane 8.2
    cyclooctane 4.17
    cyclopentanol 104.1
    tetrahydropyran 178.03
    tert-amyl methyl ether 72.43
    2,5,8-trioxanonane 193.07
    1-hexene 20.18
    2-isopropoxyethanol 128.97
    2,2,2-trifluoroethanol 183.8
    methyl butyrate 150.62

    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