5-Methylindan

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  • Identifiers

    CAS number
    874-35-1

    Molecular formula
    C10H12

    SMILES
    CC1=CC2=C(CCC2)C=C1

    Safety labels

  • Odor profile

    Fragrance
    Woody 63.32%
    Floral 48.69%
    Animal 42.08%
    Sweet 38.8%
    Earthy 37.48%
    Dry 36.16%
    Green 32.54%
    Musk 31.54%
    Tobacco 30.19%
    Amber 30.11%

     

    Flavor
    Plastic 30.2%
    Animal 24.8%
    Dry 24.08%
    Sweet 23.82%
    Naphthyl 21.67%
    Medicinal 21.14%
    Camphor 21.09%
    Indole 20.33%
    Guaiacol 20.25%
    Flat 20.24%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    7.81 (neutral)

    Molecular weight
    132.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    206°C

    Flash point

    • 64.89 ˚C est.

  • Synonyms

    • 5-METHYLINDAN
    • 874-35-1
    • 5-methyl-2,3-dihydro-1H-indene
    • 2,3-Dihydro-5-methyl-1H-indene
    • 1H-Indene, 2,3-dihydro-5-methyl-
    • Indan, 5-methyl-
    • H86VUZ1IAC
    • Indane, 5-methyl
    • UNII-H86VUZ1IAC
    • 2,3-dihydro-5-methylindene
    • DTXSID5061245
    • 5-methy1-2,3-dihydro-1H-indene
    • RefChem:103200
    • DTXCID2048585
    • RFXBCGVZEJEYGG-UHFFFAOYSA-N
    • 5-Methylindane
    • 1H-Indene,2,3-dihydro-5-methyl-
    • MFCD04972228
    • 5-METHYL INDANE
    • SCHEMBL414198
    • SCHEMBL2281882
    • SCHEMBL2286992
    • SCHEMBL3483197
    • SCHEMBL5669828
    • AKOS006295176
    • BS-52418
    • SY294429
    • DB-242479
    • NS00113801
    • Y11729
    • 874-35-1

  • Applications

    5-Methylindan (CAS 874-35-1) is primarily used as an intermediate and scaffold for chemical synthesis in research and manufacturing; real-world applications focus on the following areas: pharmaceutical intermediates and related derivatives; precursors or components for the fragrance and perfumery sector; a core scaffold for polymer and plastics materials; a feedstock for coatings and inks; and evaluated for specialized chemical syntheses and materials research in electronics and advanced materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 281.27
    methanol 205.65
    isopropanol 241.81
    water 0.22
    ethyl acetate 817.72
    n-propanol 308.14
    acetone 693.99
    n-butanol 328.34
    acetonitrile 584.31
    DMF 579.41
    toluene 677.28
    isobutanol 237.72
    1,4-dioxane 1621.93
    methyl acetate 696.25
    THF 1528.27
    2-butanone 668.24
    n-pentanol 275.24
    sec-butanol 252.2
    n-hexane 371.85
    ethylene glycol 50.16
    NMP 578.09
    cyclohexane 314.11
    DMSO 449.86
    n-butyl acetate 1119.46
    n-octanol 313.38
    chloroform 1455.67
    n-propyl acetate 551.33
    acetic acid 167.29
    dichloromethane 1416.07
    cyclohexanone 954.82
    propylene glycol 78.86
    isopropyl acetate 566.4
    DMAc 472.68
    2-ethoxyethanol 356.87
    isopentanol 320.3
    n-heptane 311.54
    ethyl formate 352.65
    1,2-dichloroethane 984.14
    n-hexanol 650.59
    2-methoxyethanol 403.05
    isobutyl acetate 473.51
    tetrachloromethane 355.13
    n-pentyl acetate 439.06
    transcutol 1499.84
    n-heptanol 294.76
    ethylbenzene 395.55
    MIBK 528.98
    2-propoxyethanol 853.84
    tert-butanol 349.58
    MTBE 729.68
    2-butoxyethanol 405.29
    propionic acid 226.42
    o-xylene 358.91
    formic acid 32.68
    diethyl ether 1036.22
    m-xylene 448.44
    p-xylene 414.59
    chlorobenzene 653.43
    dimethyl carbonate 305.45
    n-octane 144.18
    formamide 61.75
    cyclopentanone 997.64
    2-pentanone 650.06
    anisole 659.67
    cyclopentyl methyl ether 937.61
    gamma-butyrolactone 909.43
    1-methoxy-2-propanol 434.72
    pyridine 908.22
    3-pentanone 622.48
    furfural 604.5
    n-dodecane 107.31
    diethylene glycol 386.34
    diisopropyl ether 449.85
    tert-amyl alcohol 302.66
    acetylacetone 711.97
    n-hexadecane 122.69
    acetophenone 454.37
    methyl propionate 578.4
    isopentyl acetate 884.89
    trichloroethylene 1325.8
    n-nonanol 290.65
    cyclohexanol 342.26
    benzyl alcohol 292.05
    2-ethylhexanol 499.6
    isooctanol 261.08
    dipropyl ether 999.23
    1,2-dichlorobenzene 573.65
    ethyl lactate 182.08
    propylene carbonate 555.43
    n-methylformamide 230.03
    2-pentanol 278.84
    n-pentane 225.03
    1-propoxy-2-propanol 638.24
    1-methoxy-2-propyl acetate 747.58
    2-(2-methoxypropoxy) propanol 423.5
    mesitylene 320.74
    ε-caprolactone 775.38
    p-cymene 278.85
    epichlorohydrin 1148.46
    1,1,1-trichloroethane 1003.27
    2-aminoethanol 102.54
    morpholine-4-carbaldehyde 790.02
    sulfolane 776.32
    2,2,4-trimethylpentane 104.27
    2-methyltetrahydrofuran 1109.08
    n-hexyl acetate 641.14
    isooctane 124.73
    2-(2-butoxyethoxy)ethanol 587.52
    sec-butyl acetate 440.71
    tert-butyl acetate 617.61
    decalin 204.25
    glycerin 109.34
    diglyme 1068.08
    acrylic acid 166.07
    isopropyl myristate 342.22
    n-butyric acid 378.81
    acetyl acetate 478.29
    di(2-ethylhexyl) phthalate 222.07
    ethyl propionate 508.3
    nitromethane 412.55
    1,2-diethoxyethane 1030.1
    benzonitrile 467.51
    trioctyl phosphate 178.06
    1-bromopropane 794.57
    gamma-valerolactone 983.02
    n-decanol 242.62
    triethyl phosphate 260.08
    4-methyl-2-pentanol 231.76
    propionitrile 556.5
    vinylene carbonate 489.43
    1,1,2-trichlorotrifluoroethane 426.02
    DMS 519.78
    cumene 285.66
    2-octanol 221.32
    2-hexanone 590.35
    octyl acetate 378.23
    limonene 409.54
    1,2-dimethoxyethane 927.27
    ethyl orthosilicate 267.79
    tributyl phosphate 234.32
    diacetone alcohol 429.81
    N,N-dimethylaniline 417.94
    acrylonitrile 547.43
    aniline 412.25
    1,3-propanediol 174.84
    bromobenzene 839.24
    dibromomethane 1050.26
    1,1,2,2-tetrachloroethane 998.55
    2-methyl-cyclohexyl acetate 457.49
    tetrabutyl urea 295.59
    diisobutyl methanol 296.72
    2-phenylethanol 479.77
    styrene 463.26
    dioctyl adipate 351.1
    dimethyl sulfate 344.26
    ethyl butyrate 731.89
    methyl lactate 191.79
    butyl lactate 246.81
    diethyl carbonate 396.92
    propanediol butyl ether 281.26
    triethyl orthoformate 427.38
    p-tert-butyltoluene 273.92
    methyl 4-tert-butylbenzoate 411.54
    morpholine 1149.16
    tert-butylamine 295.4
    n-dodecanol 208.08
    dimethoxymethane 750.52
    ethylene carbonate 485.09
    cyrene 292.04
    2-ethoxyethyl acetate 546.35
    2-ethylhexyl acetate 759.08
    1,2,4-trichlorobenzene 598.48
    4-methylpyridine 850.49
    dibutyl ether 730.6
    2,6-dimethyl-4-heptanol 296.72
    DEF 644.02
    dimethyl isosorbide 661.7
    tetrachloroethylene 655.8
    eugenol 367.5
    triacetin 434.67
    span 80 355.62
    1,4-butanediol 92.31
    1,1-dichloroethane 971.38
    2-methyl-1-pentanol 289.82
    methyl formate 220.22
    2-methyl-1-butanol 282.45
    n-decane 162.84
    butyronitrile 567.45
    3,7-dimethyl-1-octanol 340.38
    1-chlorooctane 399.13
    1-chlorotetradecane 203.78
    n-nonane 180.35
    undecane 128.92
    tert-butylcyclohexane 198.12
    cyclooctane 189.89
    cyclopentanol 311.72
    tetrahydropyran 1256.59
    tert-amyl methyl ether 496.08
    2,5,8-trioxanonane 699.97
    1-hexene 680.62
    2-isopropoxyethanol 358.63
    2,2,2-trifluoroethanol 73.3
    methyl butyrate 581.96

    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