1,6-Dimethylindan

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  • Identifiers

    CAS number
    17059-48-2

    Molecular formula
    C11H14

    SMILES
    CC1CCC2=C1C=C(C=C2)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 64.49%
    Spicy 45.86%
    Herbal 41.93%
    Animal 36.14%
    Earthy 35.96%
    Leathery 34.09%
    Dry 33.99%
    Sweet 32.58%
    Floral 31.89%
    Tobacco 29.85%

     

    Flavor
    Woody 29.56%
    Wood 27.37%
    Plastic 27.34%
    Spice 27.29%
    Dry 27.27%
    Sweet 26.37%
    Camphor 25.16%
    Medicinal 25.09%
    Earthy 22.36%
    Guaiacol 21.85%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.19 (weak base)

    Molecular weight
    146.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    213°C

    Flash point

    • 76.81 ˚C est.

  • Synonyms

    • 1,6-dimethyl-2,3-dihydro-1H-indene
    • 1,6-DIMETHYLINDAN
    • 17059-48-2
    • 1H-Indene, 2,3-dihydro-1,6-dimethyl-
    • J8P8CJ7K2C
    • DTXSID90937790
    • RefChem:1053518
    • DTXCID201366342
    • 1H-INDENE,2,3-DIHYDRO-1,6-DIM
    • 1,6-Dimethylindane
    • 1,6-dime-thylindane
    • 1,6-Dimethylindane #
    • SCHEMBL409985
    • INDAN, 1,6-DIMETHYL-
    • SCHEMBL30298336
    • UVRVNMDNGVIBGM-UHFFFAOYSA-N
    • 2,3-dihydro-1,6-dimethyl-1h-indene
    • 17059-48-2

  • Applications

    1,6-Dimethylindan (CAS 17059-48-2) is primarily used in chemical synthesis as an intermediate and building block in the development of pharmaceutical and agrochemical compounds; it also serves as a scaffold in fragrance chemistry, where it can function as a precursor for aroma molecules. In polymer and materials contexts, it is explored as a rigid hydrocarbon core for functionalized polymers and specialty materials. It is commonly encountered in medicinal chemistry research as a starting point for library generation and structure–activity relationship (SAR) exploration, and may be considered for coatings or inks as a specialty intermediate or precursor under appropriate formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 381.28
    methanol 233.31
    isopropanol 376.65
    water 0.24
    ethyl acetate 972.7
    n-propanol 434.83
    acetone 959.09
    n-butanol 436.5
    acetonitrile 679.88
    DMF 829.73
    toluene 715.65
    isobutanol 347.42
    1,4-dioxane 2048.6
    methyl acetate 961.74
    THF 2015.1
    2-butanone 966.36
    n-pentanol 329.67
    sec-butanol 362.32
    n-hexane 343.86
    ethylene glycol 61.39
    NMP 542.14
    cyclohexane 298.28
    DMSO 490.38
    n-butyl acetate 1343.62
    n-octanol 365.51
    chloroform 1637.76
    n-propyl acetate 642.33
    acetic acid 163.72
    dichloromethane 1577.51
    cyclohexanone 1069.49
    propylene glycol 103.88
    isopropyl acetate 694.67
    DMAc 608.94
    2-ethoxyethanol 451.22
    isopentanol 400.19
    n-heptane 270.45
    ethyl formate 446.29
    1,2-dichloroethane 1211.35
    n-hexanol 824.63
    2-methoxyethanol 553.71
    isobutyl acetate 563.62
    tetrachloromethane 366.19
    n-pentyl acetate 525.29
    transcutol 1682.28
    n-heptanol 343.8
    ethylbenzene 460.35
    MIBK 605.54
    2-propoxyethanol 1081.49
    tert-butanol 477.3
    MTBE 1108.77
    2-butoxyethanol 493.76
    propionic acid 250.31
    o-xylene 391.3
    formic acid 30.93
    diethyl ether 1323.5
    m-xylene 485.97
    p-xylene 517.14
    chlorobenzene 718.06
    dimethyl carbonate 372.47
    n-octane 145.51
    formamide 69.88
    cyclopentanone 1196.04
    2-pentanone 819.38
    anisole 807.38
    cyclopentyl methyl ether 990.61
    gamma-butyrolactone 1037.22
    1-methoxy-2-propanol 568.77
    pyridine 1048.82
    3-pentanone 754.51
    furfural 678.76
    n-dodecane 107.49
    diethylene glycol 498.09
    diisopropyl ether 503.12
    tert-amyl alcohol 422.76
    acetylacetone 852.49
    n-hexadecane 124.77
    acetophenone 525.0
    methyl propionate 734.19
    isopentyl acetate 1120.18
    trichloroethylene 1568.1
    n-nonanol 326.37
    cyclohexanol 375.55
    benzyl alcohol 355.17
    2-ethylhexanol 547.89
    isooctanol 290.52
    dipropyl ether 1047.64
    1,2-dichlorobenzene 597.21
    ethyl lactate 218.27
    propylene carbonate 597.81
    n-methylformamide 315.45
    2-pentanol 358.8
    n-pentane 221.63
    1-propoxy-2-propanol 790.66
    1-methoxy-2-propyl acetate 922.28
    2-(2-methoxypropoxy) propanol 477.33
    mesitylene 334.44
    ε-caprolactone 867.32
    p-cymene 305.56
    epichlorohydrin 1411.44
    1,1,1-trichloroethane 1150.09
    2-aminoethanol 129.7
    morpholine-4-carbaldehyde 864.85
    sulfolane 785.93
    2,2,4-trimethylpentane 107.33
    2-methyltetrahydrofuran 1260.65
    n-hexyl acetate 790.77
    isooctane 126.24
    2-(2-butoxyethoxy)ethanol 668.68
    sec-butyl acetate 522.09
    tert-butyl acetate 741.9
    decalin 194.93
    glycerin 133.25
    diglyme 1235.75
    acrylic acid 174.86
    isopropyl myristate 388.46
    n-butyric acid 426.92
    acetyl acetate 530.53
    di(2-ethylhexyl) phthalate 249.69
    ethyl propionate 597.87
    nitromethane 485.94
    1,2-diethoxyethane 1286.04
    benzonitrile 538.41
    trioctyl phosphate 204.24
    1-bromopropane 947.53
    gamma-valerolactone 1226.89
    n-decanol 273.44
    triethyl phosphate 280.16
    4-methyl-2-pentanol 279.19
    propionitrile 704.47
    vinylene carbonate 526.65
    1,1,2-trichlorotrifluoroethane 459.98
    DMS 637.89
    cumene 327.0
    2-octanol 270.08
    2-hexanone 717.59
    octyl acetate 438.94
    limonene 435.37
    1,2-dimethoxyethane 1237.47
    ethyl orthosilicate 291.23
    tributyl phosphate 271.56
    diacetone alcohol 515.04
    N,N-dimethylaniline 478.58
    acrylonitrile 680.38
    aniline 480.42
    1,3-propanediol 236.75
    bromobenzene 914.05
    dibromomethane 1173.28
    1,1,2,2-tetrachloroethane 1206.19
    2-methyl-cyclohexyl acetate 522.0
    tetrabutyl urea 329.12
    diisobutyl methanol 313.3
    2-phenylethanol 602.07
    styrene 545.08
    dioctyl adipate 399.89
    dimethyl sulfate 376.72
    ethyl butyrate 802.7
    methyl lactate 233.76
    butyl lactate 294.99
    diethyl carbonate 459.09
    propanediol butyl ether 344.83
    triethyl orthoformate 483.36
    p-tert-butyltoluene 309.61
    methyl 4-tert-butylbenzoate 450.64
    morpholine 1477.87
    tert-butylamine 380.98
    n-dodecanol 231.36
    dimethoxymethane 956.92
    ethylene carbonate 521.12
    cyrene 311.52
    2-ethoxyethyl acetate 686.74
    2-ethylhexyl acetate 917.5
    1,2,4-trichlorobenzene 604.84
    4-methylpyridine 982.76
    dibutyl ether 838.77
    2,6-dimethyl-4-heptanol 313.3
    DEF 740.47
    dimethyl isosorbide 772.8
    tetrachloroethylene 730.73
    eugenol 423.2
    triacetin 505.43
    span 80 399.62
    1,4-butanediol 116.23
    1,1-dichloroethane 1201.6
    2-methyl-1-pentanol 342.98
    methyl formate 300.58
    2-methyl-1-butanol 360.56
    n-decane 169.27
    butyronitrile 677.03
    3,7-dimethyl-1-octanol 380.42
    1-chlorooctane 448.38
    1-chlorotetradecane 209.11
    n-nonane 182.63
    undecane 131.74
    tert-butylcyclohexane 193.59
    cyclooctane 176.06
    cyclopentanol 357.83
    tetrahydropyran 1538.8
    tert-amyl methyl ether 673.16
    2,5,8-trioxanonane 782.41
    1-hexene 707.75
    2-isopropoxyethanol 435.38
    2,2,2-trifluoroethanol 79.37
    methyl butyrate 673.98

    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