1H-Indene, 1-ethyl-

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  • Identifiers

    CAS number
    6953-66-8

    Molecular formula
    C11H12

    SMILES
    CCC1C=CC2=CC=CC=C12

    Safety labels

  • Odor profile

    Fragrance
    Spicy 54.25%
    Herbal 51.58%
    Woody 43.33%
    Green 36.71%
    Fresh 31.97%
    Earthy 30.72%
    Citrus 29.49%
    Sweet 28.27%
    Anisic 28.27%
    Balsamic 26.24%

     

    Flavor
    Herbal 40.94%
    Spice 36.48%
    Green 34.59%
    Woody 31.46%
    Wood 30.91%
    Herb 29.81%
    Balsam 28.79%
    Fresh 24.34%
    Spicy 21.63%
    Tar 21.44%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    7.71 (neutral)

    Molecular weight
    144.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    209°C

    Flash point

    • 90.7 ˚C est.

  • Synonyms

    • 1-ethyl-1H-indene
    • 1H-Indene, 1-ethyl-
    • 6953-66-8
    • 1-ethylindene
    • ethylindene
    • (indenyl)ethane
    • NSC38860
    • indene, 1-ethyl-
    • NCIOpen2_000047
    • SCHEMBL218377
    • SCHEMBL1539616
    • SCHEMBL1706622
    • SCHEMBL2951329
    • SCHEMBL6355081
    • SCHEMBL29554562
    • DTXSID901316500
    • NSC62552
    • NSC-38860
    • NSC-62552
    • H41934
    • 6953-66-8

  • Applications

    1H-Indene, 1-ethyl- is commonly used as an intermediate in fragrance chemistry, serving as a building block for aroma compounds or as an odorant precursor in perfumery. It is also considered a specialty intermediate in polymers and plastics, enabling the synthesis of aromatic polymers or resins and acting as a precursor in various polymerization routes. In coatings and inks, it can function as a precursor for resin formulations used in specialized coatings. In cosmetics and personal care, it may appear as a fragrance-related intermediate in scented products. In pharmaceutical research, it can serve as a synthetic building block for medicinal chemistry programs. In industrial manufacturing, it is handled as a chemical intermediate for downstream chemical syntheses. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 330.07
    methanol 190.79
    isopropanol 235.52
    water 0.12
    ethyl acetate 768.58
    n-propanol 315.62
    acetone 865.97
    n-butanol 312.55
    acetonitrile 628.65
    DMF 846.62
    toluene 983.27
    isobutanol 239.45
    1,4-dioxane 1501.74
    methyl acetate 692.32
    THF 1849.85
    2-butanone 772.41
    n-pentanol 213.26
    sec-butanol 221.45
    n-hexane 290.74
    ethylene glycol 38.35
    NMP 716.42
    cyclohexane 463.74
    DMSO 624.14
    n-butyl acetate 1442.11
    n-octanol 296.04
    chloroform 1715.09
    n-propyl acetate 556.0
    acetic acid 197.15
    dichloromethane 2426.65
    cyclohexanone 1218.85
    propylene glycol 55.45
    isopropyl acetate 454.4
    DMAc 486.3
    2-ethoxyethanol 230.8
    isopentanol 248.77
    n-heptane 459.35
    ethyl formate 476.33
    1,2-dichloroethane 1585.98
    n-hexanol 598.02
    2-methoxyethanol 335.65
    isobutyl acetate 391.84
    tetrachloromethane 489.97
    n-pentyl acetate 509.8
    transcutol 1088.07
    n-heptanol 248.12
    ethylbenzene 450.74
    MIBK 443.49
    2-propoxyethanol 598.54
    tert-butanol 281.77
    MTBE 546.92
    2-butoxyethanol 289.43
    propionic acid 223.9
    o-xylene 411.71
    formic acid 26.42
    diethyl ether 946.49
    m-xylene 545.02
    p-xylene 455.28
    chlorobenzene 901.23
    dimethyl carbonate 306.04
    n-octane 170.05
    formamide 73.26
    cyclopentanone 1321.63
    2-pentanone 781.41
    anisole 569.39
    cyclopentyl methyl ether 947.05
    gamma-butyrolactone 1133.29
    1-methoxy-2-propanol 296.12
    pyridine 1284.26
    3-pentanone 658.16
    furfural 673.74
    n-dodecane 118.7
    diethylene glycol 238.85
    diisopropyl ether 322.99
    tert-amyl alcohol 227.01
    acetylacetone 701.4
    n-hexadecane 137.85
    acetophenone 432.89
    methyl propionate 604.05
    isopentyl acetate 904.65
    trichloroethylene 2015.53
    n-nonanol 257.44
    cyclohexanol 393.71
    benzyl alcohol 256.63
    2-ethylhexanol 477.29
    isooctanol 211.74
    dipropyl ether 1075.75
    1,2-dichlorobenzene 687.71
    ethyl lactate 149.57
    propylene carbonate 670.41
    n-methylformamide 322.04
    2-pentanol 233.23
    n-pentane 248.07
    1-propoxy-2-propanol 494.21
    1-methoxy-2-propyl acetate 669.05
    2-(2-methoxypropoxy) propanol 329.56
    mesitylene 344.88
    ε-caprolactone 868.25
    p-cymene 359.34
    epichlorohydrin 1412.14
    1,1,1-trichloroethane 1174.21
    2-aminoethanol 76.01
    morpholine-4-carbaldehyde 749.21
    sulfolane 988.88
    2,2,4-trimethylpentane 92.57
    2-methyltetrahydrofuran 1296.72
    n-hexyl acetate 681.11
    isooctane 99.73
    2-(2-butoxyethoxy)ethanol 424.14
    sec-butyl acetate 346.25
    tert-butyl acetate 471.25
    decalin 190.58
    glycerin 66.69
    diglyme 859.3
    acrylic acid 163.43
    isopropyl myristate 330.85
    n-butyric acid 384.24
    acetyl acetate 420.42
    di(2-ethylhexyl) phthalate 216.24
    ethyl propionate 489.08
    nitromethane 449.22
    1,2-diethoxyethane 1053.52
    benzonitrile 551.53
    trioctyl phosphate 180.19
    1-bromopropane 1185.37
    gamma-valerolactone 983.91
    n-decanol 216.34
    triethyl phosphate 235.42
    4-methyl-2-pentanol 151.05
    propionitrile 597.75
    vinylene carbonate 588.12
    1,1,2-trichlorotrifluoroethane 358.93
    DMS 491.84
    cumene 273.21
    2-octanol 193.25
    2-hexanone 546.65
    octyl acetate 375.28
    limonene 544.67
    1,2-dimethoxyethane 756.71
    ethyl orthosilicate 236.83
    tributyl phosphate 222.48
    diacetone alcohol 306.8
    N,N-dimethylaniline 359.48
    acrylonitrile 573.86
    aniline 443.74
    1,3-propanediol 143.25
    bromobenzene 1221.42
    dibromomethane 1815.39
    1,1,2,2-tetrachloroethane 1145.48
    2-methyl-cyclohexyl acetate 430.93
    tetrabutyl urea 314.53
    diisobutyl methanol 259.22
    2-phenylethanol 420.01
    styrene 566.72
    dioctyl adipate 360.1
    dimethyl sulfate 320.19
    ethyl butyrate 810.6
    methyl lactate 139.61
    butyl lactate 212.55
    diethyl carbonate 424.59
    propanediol butyl ether 202.23
    triethyl orthoformate 415.43
    p-tert-butyltoluene 312.38
    methyl 4-tert-butylbenzoate 364.07
    morpholine 1148.68
    tert-butylamine 238.23
    n-dodecanol 192.72
    dimethoxymethane 812.65
    ethylene carbonate 582.26
    cyrene 251.67
    2-ethoxyethyl acetate 575.13
    2-ethylhexyl acetate 853.2
    1,2,4-trichlorobenzene 636.26
    4-methylpyridine 1130.72
    dibutyl ether 739.64
    2,6-dimethyl-4-heptanol 259.22
    DEF 731.77
    dimethyl isosorbide 644.72
    tetrachloroethylene 845.13
    eugenol 301.86
    triacetin 394.77
    span 80 289.8
    1,4-butanediol 70.92
    1,1-dichloroethane 1263.41
    2-methyl-1-pentanol 194.47
    methyl formate 314.87
    2-methyl-1-butanol 236.87
    n-decane 186.83
    butyronitrile 660.26
    3,7-dimethyl-1-octanol 275.37
    1-chlorooctane 442.59
    1-chlorotetradecane 208.91
    n-nonane 214.74
    undecane 144.16
    tert-butylcyclohexane 156.81
    cyclooctane 240.39
    cyclopentanol 376.0
    tetrahydropyran 1575.22
    tert-amyl methyl ether 379.55
    2,5,8-trioxanonane 587.0
    1-hexene 596.14
    2-isopropoxyethanol 207.54
    2,2,2-trifluoroethanol 67.99
    methyl butyrate 599.11

    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