4,5,7-Trimethylindan

Overview IFRA Request a quote

  • Identifiers

    CAS number
    6682-06-0

    Molecular formula
    C12H16

    SMILES
    CC1=CC(=C2CCCC2=C1C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 46.65%
    Sweet 39.76%
    Musk 39.24%
    Animal 37.18%
    Dry 35.24%
    Leathery 33.45%
    Phenolic 30.58%
    Spicy 29.79%
    Earthy 28.98%
    Amber 28.76%

     

    Flavor
    Camphor 23.55%
    Musty 22.64%
    Flat 22.55%
    Woody 21.95%
    Indole 21.3%
    Very strong 21.07%
    Plastic 21.05%
    Animal 21.0%
    Soybean 20.67%
    Dry 20.37%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    8.39 (weak base)

    Molecular weight
    160.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    249°C

    Flash point

    • 92.92 ˚C est.

  • Synonyms

    • 4,5,7-TRIMETHYLINDAN
    • 4,5,7-trimethyl-2,3-dihydro-1H-indene
    • 6682-06-0
    • Indan, 4,5,7-trimethyl-
    • 4,6,7-trimethyl-indane
    • 1H-Indene, 2,3-dihydro-4,5,7-trimethyl-
    • 4,5,7-Trimethylindane #
    • DTXSID60216928
    • NFLKDIOSDXSKTG-UHFFFAOYSA-N
    • 6682-06-0

  • Applications

    4,5,7-Trimethylindan (CAS 6682-06-0) is a specialty organic synthesis intermediate used across several application areas. In perfumery and fragrance work, it is commonly evaluated as a building block for aroma compounds and odorant derivatives. In pharmaceutical research, it serves as a scaffold for developing fused-ring structures and related intermediates. In polymers and plastics, it can function as a precursor to indan-based monomers or functional additives that influence material properties. Additionally, it may appear as a synthetic intermediate in agrochemical development and in coatings/inks as a useful aromatic building block, with appropriate handling and regulatory compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 384.56
    methanol 433.02
    isopropanol 285.46
    water 0.67
    ethyl acetate 944.84
    n-propanol 396.03
    acetone 839.37
    n-butanol 397.31
    acetonitrile 804.05
    DMF 851.66
    toluene 1093.16
    isobutanol 280.48
    1,4-dioxane 2599.54
    methyl acetate 797.04
    THF 2881.63
    2-butanone 787.14
    n-pentanol 309.22
    sec-butanol 263.78
    n-hexane 587.18
    ethylene glycol 54.06
    NMP 909.64
    cyclohexane 637.88
    DMSO 508.85
    n-butyl acetate 1402.5
    n-octanol 342.89
    chloroform 1898.66
    n-propyl acetate 661.32
    acetic acid 202.08
    dichloromethane 2123.33
    cyclohexanone 1501.93
    propylene glycol 58.66
    isopropyl acetate 669.79
    DMAc 520.58
    2-ethoxyethanol 396.42
    isopentanol 345.41
    n-heptane 426.96
    ethyl formate 490.62
    1,2-dichloroethane 1669.25
    n-hexanol 743.99
    2-methoxyethanol 490.04
    isobutyl acetate 556.54
    tetrachloromethane 646.22
    n-pentyl acetate 655.16
    transcutol 1064.13
    n-heptanol 341.92
    ethylbenzene 585.24
    MIBK 601.75
    2-propoxyethanol 918.48
    tert-butanol 371.21
    MTBE 932.58
    2-butoxyethanol 469.92
    propionic acid 234.12
    o-xylene 564.11
    formic acid 57.13
    diethyl ether 1660.37
    m-xylene 755.24
    p-xylene 678.58
    chlorobenzene 983.94
    dimethyl carbonate 390.95
    n-octane 226.37
    formamide 113.91
    cyclopentanone 1673.66
    2-pentanone 836.12
    anisole 819.51
    cyclopentyl methyl ether 1662.62
    gamma-butyrolactone 1574.41
    1-methoxy-2-propanol 410.36
    pyridine 1371.71
    3-pentanone 797.94
    furfural 898.16
    n-dodecane 139.48
    diethylene glycol 397.96
    diisopropyl ether 657.06
    tert-amyl alcohol 307.56
    acetylacetone 752.29
    n-hexadecane 165.0
    acetophenone 525.43
    methyl propionate 703.98
    isopentyl acetate 1092.96
    trichloroethylene 1905.39
    n-nonanol 318.98
    cyclohexanol 504.46
    benzyl alcohol 345.86
    2-ethylhexanol 580.55
    isooctanol 309.13
    dipropyl ether 1207.08
    1,2-dichlorobenzene 817.62
    ethyl lactate 187.57
    propylene carbonate 719.85
    n-methylformamide 409.03
    2-pentanol 319.21
    n-pentane 384.18
    1-propoxy-2-propanol 648.14
    1-methoxy-2-propyl acetate 833.41
    2-(2-methoxypropoxy) propanol 388.04
    mesitylene 550.72
    ε-caprolactone 1145.42
    p-cymene 416.93
    epichlorohydrin 1856.57
    1,1,1-trichloroethane 1447.82
    2-aminoethanol 105.35
    morpholine-4-carbaldehyde 1135.44
    sulfolane 1183.45
    2,2,4-trimethylpentane 172.24
    2-methyltetrahydrofuran 1954.71
    n-hexyl acetate 831.85
    isooctane 179.57
    2-(2-butoxyethoxy)ethanol 534.19
    sec-butyl acetate 478.85
    tert-butyl acetate 765.38
    decalin 334.42
    glycerin 88.89
    diglyme 1117.68
    acrylic acid 180.36
    isopropyl myristate 409.98
    n-butyric acid 420.93
    acetyl acetate 528.28
    di(2-ethylhexyl) phthalate 247.51
    ethyl propionate 619.77
    nitromethane 595.17
    1,2-diethoxyethane 1370.55
    benzonitrile 646.38
    trioctyl phosphate 228.9
    1-bromopropane 1226.19
    gamma-valerolactone 1488.03
    n-decanol 257.72
    triethyl phosphate 341.11
    4-methyl-2-pentanol 250.78
    propionitrile 818.82
    vinylene carbonate 687.38
    1,1,2-trichlorotrifluoroethane 465.67
    DMS 657.51
    cumene 400.2
    2-octanol 273.61
    2-hexanone 689.47
    octyl acetate 454.5
    limonene 613.63
    1,2-dimethoxyethane 1186.0
    ethyl orthosilicate 364.57
    tributyl phosphate 287.92
    diacetone alcohol 437.89
    N,N-dimethylaniline 530.7
    acrylonitrile 785.33
    aniline 555.9
    1,3-propanediol 187.18
    bromobenzene 1264.12
    dibromomethane 1597.54
    1,1,2,2-tetrachloroethane 1348.7
    2-methyl-cyclohexyl acetate 581.31
    tetrabutyl urea 383.14
    diisobutyl methanol 348.89
    2-phenylethanol 545.44
    styrene 686.23
    dioctyl adipate 396.36
    dimethyl sulfate 426.71
    ethyl butyrate 808.41
    methyl lactate 193.49
    butyl lactate 281.77
    diethyl carbonate 464.21
    propanediol butyl ether 239.34
    triethyl orthoformate 551.82
    p-tert-butyltoluene 423.88
    methyl 4-tert-butylbenzoate 492.78
    morpholine 1863.35
    tert-butylamine 344.07
    n-dodecanol 217.69
    dimethoxymethane 1204.94
    ethylene carbonate 698.21
    cyrene 330.9
    2-ethoxyethyl acetate 770.02
    2-ethylhexyl acetate 1062.76
    1,2,4-trichlorobenzene 775.9
    4-methylpyridine 1390.78
    dibutyl ether 912.53
    2,6-dimethyl-4-heptanol 348.89
    DEF 855.4
    dimethyl isosorbide 800.35
    tetrachloroethylene 1133.47
    eugenol 400.49
    triacetin 440.97
    span 80 337.08
    1,4-butanediol 96.41
    1,1-dichloroethane 1345.91
    2-methyl-1-pentanol 297.3
    methyl formate 419.14
    2-methyl-1-butanol 308.12
    n-decane 227.46
    butyronitrile 827.55
    3,7-dimethyl-1-octanol 345.02
    1-chlorooctane 531.27
    1-chlorotetradecane 249.58
    n-nonane 252.28
    undecane 174.97
    tert-butylcyclohexane 309.94
    cyclooctane 378.43
    cyclopentanol 470.14
    tetrahydropyran 2306.01
    tert-amyl methyl ether 699.79
    2,5,8-trioxanonane 679.41
    1-hexene 945.49
    2-isopropoxyethanol 348.65
    2,2,2-trifluoroethanol 104.68
    methyl butyrate 678.99

    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