1,1,2,3,3-Pentamethylindan

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1203-17-4

    Molecular formula
    C14H20

    SMILES
    CC1C(C2=CC=CC=C2C1(C)C)(C)C

  • Odor profile

    Fragrance
    Woody 63.34%
    Sweet 48.21%
    Musk 46.45%
    Dry 42.71%
    Amber 41.97%
    Spicy 38.97%
    Camphoreous 33.18%
    Powdery 32.9%
    Herbal 30.67%
    Floral 30.05%

     

    Flavor
    Woody 53.51%
    Camphor 51.71%
    Pine 30.85%
    Dry 26.17%
    Herbal 22.5%
    Fir needle 22.17%
    Earthy 21.72%
    Musty 21.52%
    Phenolic 21.15%
    Old paper 20.9%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    7.93 (neutral)

    Molecular weight
    188.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    237°C

    Flash point

    • 108.85 ˚C est.
    • 89 °C

  • Synonyms

    • 1,1,2,3,3-PENTAMETHYLINDAN
    • 1,1,2,3,3-Pentamethylindane
    • 1203-17-4
    • Indan, 1,1,2,3,3-pentamethyl-
    • 1H-Indene, 2,3-dihydro-1,1,2,3,3-pentamethyl-
    • HSDB 5793
    • Y1F6V1XEI9
    • 1,1,2,3,3-pentamethyl-2H-indene
    • EINECS 214-868-5
    • DTXSID8027371
    • EC 214-868-5
    • 2,3-Dihydro-1,1,2,3,3-pentamethyl-1H-indene
    • 1,1,2,3,3-PENTAMETHYLINDAN [HSDB]
    • UNII-Y1F6V1XEI9
    • DTXCID807371
    • 1,1,2,3,3-pentamethyl indane
    • Indan, 1,1,2,3,3pentamethyl
    • NS00002038
    • 1HIndene, 2,3dihydro1,1,2,3,3pentamethyl
    • Q27294143
    • 214-868-5

  • Applications

    1,1,2,3,3-Pentamethylindan (CAS 1203-17-4) may be used as an organic synthesis intermediate for complex aromatic compounds; its nonpolar, rigid indan ring makes it a candidate component as a solvent or diluent in specialized formulations; in the fragrance industry it may be evaluated as an odorant or fragrance fixative; it also serves as a building block for materials used in plastics, polymers and coatings/inks; and it is sometimes investigated as a precursor to aromatic derivatives in industrial synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 320.71
    methanol 333.18
    isopropanol 259.03
    water 2.16
    ethyl acetate 776.26
    n-propanol 366.27
    acetone 845.83
    n-butanol 332.49
    acetonitrile 711.48
    DMF 1130.16
    toluene 981.14
    isobutanol 284.62
    1,4-dioxane 1812.54
    methyl acetate 695.9
    THF 3042.94
    2-butanone 722.85
    n-pentanol 235.58
    sec-butanol 257.77
    n-hexane 415.98
    ethylene glycol 59.24
    NMP 1153.24
    cyclohexane 579.98
    DMSO 448.79
    n-butyl acetate 873.55
    n-octanol 321.51
    chloroform 1626.29
    n-propyl acetate 515.78
    acetic acid 200.29
    dichloromethane 1607.41
    cyclohexanone 1480.7
    propylene glycol 70.65
    isopropyl acetate 602.78
    DMAc 678.56
    2-ethoxyethanol 306.42
    isopentanol 284.61
    n-heptane 332.2
    ethyl formate 426.06
    1,2-dichloroethane 1265.55
    n-hexanol 588.92
    2-methoxyethanol 459.18
    isobutyl acetate 461.48
    tetrachloromethane 611.23
    n-pentyl acetate 590.03
    transcutol 636.45
    n-heptanol 321.9
    ethylbenzene 506.13
    MIBK 546.6
    2-propoxyethanol 738.8
    tert-butanol 354.63
    MTBE 759.87
    2-butoxyethanol 417.49
    propionic acid 273.44
    o-xylene 534.96
    formic acid 63.55
    diethyl ether 1106.31
    m-xylene 712.6
    p-xylene 639.16
    chlorobenzene 889.93
    dimethyl carbonate 466.63
    n-octane 163.38
    formamide 139.33
    cyclopentanone 1870.76
    2-pentanone 729.9
    anisole 736.81
    cyclopentyl methyl ether 1492.66
    gamma-butyrolactone 1803.12
    1-methoxy-2-propanol 419.3
    pyridine 1140.21
    3-pentanone 722.25
    furfural 978.56
    n-dodecane 96.68
    diethylene glycol 346.81
    diisopropyl ether 534.42
    tert-amyl alcohol 294.26
    acetylacetone 793.02
    n-hexadecane 115.87
    acetophenone 503.94
    methyl propionate 687.44
    isopentyl acetate 812.26
    trichloroethylene 1618.28
    n-nonanol 289.9
    cyclohexanol 501.09
    benzyl alcohol 316.85
    2-ethylhexanol 438.23
    isooctanol 273.95
    dipropyl ether 918.09
    1,2-dichlorobenzene 779.04
    ethyl lactate 189.14
    propylene carbonate 881.05
    n-methylformamide 463.59
    2-pentanol 284.73
    n-pentane 318.57
    1-propoxy-2-propanol 532.13
    1-methoxy-2-propyl acetate 745.47
    2-(2-methoxypropoxy) propanol 311.55
    mesitylene 513.17
    ε-caprolactone 1062.99
    p-cymene 378.48
    epichlorohydrin 1646.57
    1,1,1-trichloroethane 1249.38
    2-aminoethanol 119.49
    morpholine-4-carbaldehyde 1120.35
    sulfolane 1417.0
    2,2,4-trimethylpentane 143.12
    2-methyltetrahydrofuran 1703.85
    n-hexyl acetate 709.73
    isooctane 135.01
    2-(2-butoxyethoxy)ethanol 390.61
    sec-butyl acetate 407.42
    tert-butyl acetate 736.89
    decalin 264.87
    glycerin 97.91
    diglyme 854.17
    acrylic acid 218.63
    isopropyl myristate 341.49
    n-butyric acid 396.05
    acetyl acetate 539.8
    di(2-ethylhexyl) phthalate 227.22
    ethyl propionate 515.47
    nitromethane 584.33
    1,2-diethoxyethane 737.26
    benzonitrile 575.63
    trioctyl phosphate 203.14
    1-bromopropane 883.6
    gamma-valerolactone 1665.77
    n-decanol 220.87
    triethyl phosphate 314.22
    4-methyl-2-pentanol 221.09
    propionitrile 658.75
    vinylene carbonate 817.38
    1,1,2-trichlorotrifluoroethane 507.69
    DMS 625.73
    cumene 356.45
    2-octanol 251.75
    2-hexanone 557.71
    octyl acetate 375.2
    limonene 510.38
    1,2-dimethoxyethane 848.78
    ethyl orthosilicate 318.92
    tributyl phosphate 238.48
    diacetone alcohol 433.47
    N,N-dimethylaniline 509.32
    acrylonitrile 671.52
    aniline 523.81
    1,3-propanediol 201.68
    bromobenzene 1069.68
    dibromomethane 1215.02
    1,1,2,2-tetrachloroethane 1168.53
    2-methyl-cyclohexyl acetate 538.08
    tetrabutyl urea 318.41
    diisobutyl methanol 277.05
    2-phenylethanol 507.4
    styrene 567.3
    dioctyl adipate 346.4
    dimethyl sulfate 559.66
    ethyl butyrate 596.92
    methyl lactate 239.41
    butyl lactate 284.88
    diethyl carbonate 404.71
    propanediol butyl ether 225.9
    triethyl orthoformate 467.9
    p-tert-butyltoluene 396.73
    methyl 4-tert-butylbenzoate 522.56
    morpholine 1502.59
    tert-butylamine 319.71
    n-dodecanol 177.25
    dimethoxymethane 1086.25
    ethylene carbonate 771.86
    cyrene 356.38
    2-ethoxyethyl acetate 601.58
    2-ethylhexyl acetate 771.46
    1,2,4-trichlorobenzene 728.0
    4-methylpyridine 1161.22
    dibutyl ether 614.56
    2,6-dimethyl-4-heptanol 277.05
    DEF 754.85
    dimethyl isosorbide 783.16
    tetrachloroethylene 958.16
    eugenol 389.16
    triacetin 417.9
    span 80 304.68
    1,4-butanediol 88.15
    1,1-dichloroethane 1065.97
    2-methyl-1-pentanol 225.13
    methyl formate 467.2
    2-methyl-1-butanol 278.99
    n-decane 169.62
    butyronitrile 618.02
    3,7-dimethyl-1-octanol 280.62
    1-chlorooctane 421.64
    1-chlorotetradecane 189.63
    n-nonane 184.54
    undecane 124.25
    tert-butylcyclohexane 242.86
    cyclooctane 323.12
    cyclopentanol 546.17
    tetrahydropyran 1820.19
    tert-amyl methyl ether 587.57
    2,5,8-trioxanonane 518.59
    1-hexene 630.69
    2-isopropoxyethanol 267.34
    2,2,2-trifluoroethanol 143.64
    methyl butyrate 572.17

    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