Indene

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  • Identifiers

    CAS number
    95-13-6

    Molecular formula
    C9H8

    SMILES
    C1C=CC2=CC=CC=C21

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sweet 46.05%
    Spicy 37.56%
    Geranium 33.06%
    Metallic 32.8%
    Floral 32.51%
    Balsamic 31.5%
    Pungent 31.35%
    Rose 30.17%
    Anisic 30.04%
    Earthy 29.79%

     

    Flavor
    Sweet 40.7%
    Animal 31.15%
    Floral 29.73%
    Balsam 28.73%
    Pungent 26.93%
    Rose 26.73%
    Tar 25.97%
    Tarry 25.48%
    Anise 24.73%
    Plastic 24.08%

     

    Odor impact est.
    High

    Odor threshold

    • Odor Threshold Low: 0.0042 [mmHg]. Odor threshold from AIHA

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.45 (neutral)

    Molecular weight
    116.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Melting point expt.

    • 29 °F (NIOSH, 2024)
    • -1.8 °C
    • 29 °F

    Boiling point

    • 359 °F at 760 mmHg (NIOSH, 2024)
    • 181.6 °C 760 MM HG
    • 359 °F

    Flash point

    • 58.93 ˚C est.
    • 173 °F (NIOSH, 2024)
    • 173 °F

    Solubility expt.

    • Insoluble (NIOSH, 2024)
    • INSOL IN WATER, MISCIBLE WITH MOST ORGANIC SOLVENTS
    • SOL IN ALL PROPORTIONS IN ALC, ETHER, N BENZENE, PYRIMIDENE, CARBON DISULFIDE
    • Soluble in ethanol; it is miscible with diethyl ether, naphtha, pyridine, carbon tetrachloride, chloroform, and carbon disulfide
    • Insoluble

  • Synonyms

    • INDENE
    • 1H-Indene
    • 95-13-6
    • Indonaphthene
    • Inden
    • HSDB 5286
    • NSC 9270
    • EINECS 202-393-6
    • 67H8Y6LB8A
    • DTXSID8042052
    • CHEBI:41921
    • INDENE [HSDB]
    • NSC-9270
    • INDENE [MI]
    • MFCD00003777
    • CHEMBL192812
    • 9003-64-9
    • DTXCID6022052
    • Indene 10 microg/mL in Methanol
    • Indenyl radical
    • UNII-67H8Y6LB8A
    • 1HIndene
    • INDONAPHTHALENE
    • indene, (1H-indene)
    • Indene, 98%
    • Indene (ACGIH:OSHA)
    • Indene, >=99%
    • Indene, analytical standard
    • WLN: L56 BHJ
    • CHEBI:37910
    • NSC9270
    • NSC62567
    • Tox21_301215
    • BDBM50167941
    • NSC-62567
    • STL268869
    • AKOS000269048
    • AKOS025243274
    • CAS-95-13-6
    • NCGC00255989-01
    • 71551-80-9
    • BS-22312
    • CS-0015092
    • CS-0198083
    • I0016
    • I0354
    • NS00001084
    • EN300-19944
    • D72500
    • Q421008
    • Q27115417
    • F0001-2266
    • Z104476162
    • Indene, contains 50-100 ppm tert-butylcatechol as stabilizer, technical grade, >=90%
    • 202-393-6

  • Applications

    Indene (CAS 95-13-6) is an important industrial chemical intermediate and feedstock used primarily in the manufacture of resins and specialty polymers; it serves as a precursor for indene-based resins and related polymer materials. It is commonly evaluated for fragrance chemistry as an aroma intermediate. In coatings and inks industries, indene is used as a resin modifier and additive to improve adhesion and processing of coatings and adhesives. The compound can be hydrogenated to indane, which is used as a solvent and chemical feedstock for further syntheses. Indene also functions as a precursor to various specialty chemicals and polymer materials, with use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 128.98
    methanol 139.13
    isopropanol 80.65
    water 0.36
    ethyl acetate 278.79
    n-propanol 119.18
    acetone 151.76
    n-butanol 126.42
    acetonitrile 150.33
    DMF 174.2
    toluene 266.83
    isobutanol 81.01
    1,4-dioxane 540.45
    methyl acetate 187.16
    THF 512.17
    2-butanone 183.04
    n-pentanol 120.74
    sec-butanol 96.68
    n-hexane 99.6
    ethylene glycol 32.14
    NMP 216.01
    cyclohexane 110.92
    DMSO 177.65
    n-butyl acetate 237.02
    n-octanol 69.93
    chloroform 526.83
    n-propyl acetate 151.5
    acetic acid 110.94
    dichloromethane 510.56
    cyclohexanone 267.14
    propylene glycol 35.79
    isopropyl acetate 164.81
    DMAc 170.21
    2-ethoxyethanol 155.18
    isopentanol 109.97
    n-heptane 89.75
    ethyl formate 109.07
    1,2-dichloroethane 343.09
    n-hexanol 154.58
    2-methoxyethanol 186.2
    isobutyl acetate 118.55
    tetrachloromethane 131.01
    n-pentyl acetate 115.2
    transcutol 901.43
    n-heptanol 69.48
    ethylbenzene 113.94
    MIBK 144.77
    2-propoxyethanol 223.42
    tert-butanol 98.88
    MTBE 191.08
    2-butoxyethanol 118.59
    propionic acid 103.43
    o-xylene 131.7
    formic acid 40.42
    diethyl ether 383.53
    m-xylene 153.08
    p-xylene 113.98
    chlorobenzene 210.13
    dimethyl carbonate 107.28
    n-octane 31.92
    formamide 73.5
    cyclopentanone 287.91
    2-pentanone 193.89
    anisole 218.04
    cyclopentyl methyl ether 312.31
    gamma-butyrolactone 283.77
    1-methoxy-2-propanol 149.33
    pyridine 366.72
    3-pentanone 191.28
    furfural 239.9
    n-dodecane 22.94
    diethylene glycol 135.0
    diisopropyl ether 149.02
    tert-amyl alcohol 101.54
    acetylacetone 217.66
    n-hexadecane 26.1
    acetophenone 157.71
    methyl propionate 188.89
    isopentyl acetate 198.77
    trichloroethylene 467.15
    n-nonanol 73.4
    cyclohexanol 115.0
    benzyl alcohol 105.61
    2-ethylhexanol 128.62
    isooctanol 66.01
    dipropyl ether 277.04
    1,2-dichlorobenzene 187.75
    ethyl lactate 58.82
    propylene carbonate 155.25
    n-methylformamide 96.54
    2-pentanol 104.74
    n-pentane 78.33
    1-propoxy-2-propanol 175.92
    1-methoxy-2-propyl acetate 223.18
    2-(2-methoxypropoxy) propanol 185.71
    mesitylene 104.23
    ε-caprolactone 243.15
    p-cymene 83.76
    epichlorohydrin 359.86
    1,1,1-trichloroethane 281.83
    2-aminoethanol 58.41
    morpholine-4-carbaldehyde 311.52
    sulfolane 256.41
    2,2,4-trimethylpentane 38.53
    2-methyltetrahydrofuran 360.77
    n-hexyl acetate 149.48
    isooctane 40.06
    2-(2-butoxyethoxy)ethanol 243.79
    sec-butyl acetate 125.5
    tert-butyl acetate 188.02
    decalin 66.79
    glycerin 57.82
    diglyme 432.58
    acrylic acid 87.45
    isopropyl myristate 99.72
    n-butyric acid 153.66
    acetyl acetate 186.06
    di(2-ethylhexyl) phthalate 77.75
    ethyl propionate 152.58
    nitromethane 186.77
    1,2-diethoxyethane 439.33
    benzonitrile 146.69
    trioctyl phosphate 51.01
    1-bromopropane 278.53
    gamma-valerolactone 323.91
    n-decanol 61.85
    triethyl phosphate 91.66
    4-methyl-2-pentanol 77.45
    propionitrile 154.95
    vinylene carbonate 163.14
    1,1,2-trichlorotrifluoroethane 169.66
    DMS 175.96
    cumene 84.47
    2-octanol 49.66
    2-hexanone 160.73
    octyl acetate 97.88
    limonene 126.9
    1,2-dimethoxyethane 278.25
    ethyl orthosilicate 99.44
    tributyl phosphate 70.82
    diacetone alcohol 137.62
    N,N-dimethylaniline 136.3
    acrylonitrile 150.79
    aniline 175.45
    1,3-propanediol 83.78
    bromobenzene 247.72
    dibromomethane 390.59
    1,1,2,2-tetrachloroethane 343.13
    2-methyl-cyclohexyl acetate 145.89
    tetrabutyl urea 84.46
    diisobutyl methanol 93.1
    2-phenylethanol 134.12
    styrene 145.52
    dioctyl adipate 121.99
    dimethyl sulfate 120.89
    ethyl butyrate 183.57
    methyl lactate 70.02
    butyl lactate 68.3
    diethyl carbonate 122.56
    propanediol butyl ether 82.45
    triethyl orthoformate 142.19
    p-tert-butyltoluene 81.77
    methyl 4-tert-butylbenzoate 129.13
    morpholine 416.05
    tert-butylamine 89.11
    n-dodecanol 53.45
    dimethoxymethane 248.97
    ethylene carbonate 147.7
    cyrene 121.41
    2-ethoxyethyl acetate 198.72
    2-ethylhexyl acetate 190.4
    1,2,4-trichlorobenzene 205.96
    4-methylpyridine 282.35
    dibutyl ether 179.54
    2,6-dimethyl-4-heptanol 93.1
    DEF 218.7
    dimethyl isosorbide 289.02
    tetrachloroethylene 266.13
    eugenol 122.64
    triacetin 166.22
    span 80 135.71
    1,4-butanediol 42.96
    1,1-dichloroethane 258.85
    2-methyl-1-pentanol 125.13
    methyl formate 77.8
    2-methyl-1-butanol 107.84
    n-decane 34.74
    butyronitrile 155.63
    3,7-dimethyl-1-octanol 101.77
    1-chlorooctane 88.0
    1-chlorotetradecane 48.3
    n-nonane 35.02
    undecane 27.13
    tert-butylcyclohexane 61.09
    cyclooctane 65.72
    cyclopentanol 104.07
    tetrahydropyran 404.07
    tert-amyl methyl ether 166.15
    2,5,8-trioxanonane 340.94
    1-hexene 184.44
    2-isopropoxyethanol 129.19
    2,2,2-trifluoroethanol 44.46
    methyl butyrate 157.95

    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