2-Indanone

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  • Identifiers

    CAS number
    615-13-4

    Molecular formula
    C9H8O

    SMILES
    C1C(=O)CC2=CC=CC=C21

  • Odor profile

    Fragrance
    Floral 58.35%
    Sweet 49.41%
    Honey 43.99%
    Green 42.45%
    Fruity 39.11%
    Coumarinic 37.87%
    Powdery 36.96%
    Hay 34.43%
    Woody 33.42%
    Phenolic 32.92%

     

    Flavor
    Sweet 60.25%
    Bitter 38.31%
    Cherry 33.39%
    Almond 33.36%
    Floral 33.13%
    Balsam 33.07%
    Herbal 32.77%
    Tonka 32.33%
    Minty 30.99%
    Honey 30.03%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    7.29 (neutral)

    Molecular weight
    132.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    254°C

    Flash point

    • 104.56 ˚C est.

  • Synonyms

    • 2-INDANONE
    • 615-13-4
    • Indan-2-one
    • 1h-inden-2(3h)-one
    • 1,3-Dihydro-2H-inden-2-one
    • beta-Hydrindone
    • 2H-Inden-2-one, 1,3-dihydro-
    • 1,3-dihydroinden-2-one
    • 2,3-dihydro-1H-inden-2-one
    • b-Hydrindone
    • EINECS 210-410-3
    • MFCD00003792
    • UNII-0I79N673DE
    • BRN 0636550
    • DTXSID7052288
    • CHEBI:27930
    • AI3-39163
    • 0I79N673DE
    • 4-07-00-01002 (Beilstein Handbook Reference)
    • CHEMBL195557
    • DTXCID1030860
    • a-hydrindone
    • 2-Oxoindane
    • .beta.-Hydrindone
    • indan-2-on
    • 2-Indanone, 98%
    • bmse000514
    • 1,3-dihydro-inden-2-one
    • SCHEMBL77106
    • Tox21_304008
    • AC-530
    • BDBM50168003
    • AKOS000120641
    • CS-W020518
    • FI01995
    • NCGC00357223-01
    • AS-11788
    • CAS-615-13-4
    • SY001481
    • DB-003899
    • 2-Indanone, Vetec(TM) reagent grade, 98%
    • I0649
    • NS00034711
    • EN300-21015
    • C07727
    • F10966
    • Q15906443
    • F0001-1623
    • Z104486120

  • Applications

    2-Indanone (CAS 615-13-4) is a versatile aryl ketone used primarily as an organic synthesis intermediate. In perfumery and cosmetics, it serves as a fragrance precursor or building block for aroma compounds and can feature in fragrance formulations; in pharmaceuticals, it is used as a starting point for synthesizing indanone-based scaffolds and related drug candidates; in polymer and materials chemistry, it can function as a building block for functionalized indanone derivatives used in specialty polymers and dyes; in research settings, it is evaluated as a precursor for agrochemical structures, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 75.14
    methanol 92.53
    isopropanol 44.59
    water 3.26
    ethyl acetate 271.09
    n-propanol 75.2
    acetone 212.74
    n-butanol 36.85
    acetonitrile 263.68
    DMF 409.99
    toluene 84.04
    isobutanol 38.43
    1,4-dioxane 611.95
    methyl acetate 298.03
    THF 164.95
    2-butanone 181.71
    n-pentanol 38.99
    sec-butanol 42.17
    n-hexane 7.61
    ethylene glycol 71.5
    NMP 266.85
    cyclohexane 10.38
    DMSO 238.58
    n-butyl acetate 68.64
    n-octanol 34.07
    chloroform 533.43
    n-propyl acetate 83.2
    acetic acid 129.64
    dichloromethane 400.68
    cyclohexanone 155.5
    propylene glycol 55.87
    isopropyl acetate 90.36
    DMAc 307.3
    2-ethoxyethanol 126.19
    isopentanol 31.95
    n-heptane 8.89
    ethyl formate 96.47
    1,2-dichloroethane 242.64
    n-hexanol 55.55
    2-methoxyethanol 193.39
    isobutyl acetate 48.48
    tetrachloromethane 54.27
    n-pentyl acetate 46.88
    transcutol 572.85
    n-heptanol 29.99
    ethylbenzene 47.87
    MIBK 56.21
    2-propoxyethanol 146.37
    tert-butanol 48.86
    MTBE 48.99
    2-butoxyethanol 75.57
    propionic acid 143.29
    o-xylene 53.73
    formic acid 73.98
    diethyl ether 123.59
    m-xylene 52.62
    p-xylene 58.57
    chlorobenzene 115.72
    dimethyl carbonate 132.17
    n-octane 4.88
    formamide 136.67
    cyclopentanone 191.96
    2-pentanone 98.35
    anisole 144.7
    cyclopentyl methyl ether 85.5
    gamma-butyrolactone 278.51
    1-methoxy-2-propanol 126.14
    pyridine 282.91
    3-pentanone 126.55
    furfural 260.75
    n-dodecane 5.44
    diethylene glycol 166.26
    diisopropyl ether 30.46
    tert-amyl alcohol 37.94
    acetylacetone 187.46
    n-hexadecane 6.23
    acetophenone 111.37
    methyl propionate 229.56
    isopentyl acetate 57.27
    trichloroethylene 456.7
    n-nonanol 33.24
    cyclohexanol 40.9
    benzyl alcohol 81.12
    2-ethylhexanol 34.81
    isooctanol 26.14
    dipropyl ether 58.71
    1,2-dichlorobenzene 110.23
    ethyl lactate 55.38
    propylene carbonate 138.96
    n-methylformamide 195.5
    2-pentanol 28.21
    n-pentane 5.09
    1-propoxy-2-propanol 84.97
    1-methoxy-2-propyl acetate 116.62
    2-(2-methoxypropoxy) propanol 102.3
    mesitylene 31.6
    ε-caprolactone 156.84
    p-cymene 27.42
    epichlorohydrin 276.96
    1,1,1-trichloroethane 192.47
    2-aminoethanol 86.14
    morpholine-4-carbaldehyde 384.42
    sulfolane 211.97
    2,2,4-trimethylpentane 3.95
    2-methyltetrahydrofuran 128.53
    n-hexyl acetate 76.84
    isooctane 3.64
    2-(2-butoxyethoxy)ethanol 137.54
    sec-butyl acetate 55.2
    tert-butyl acetate 73.3
    decalin 10.13
    glycerin 93.3
    diglyme 288.92
    acrylic acid 145.77
    isopropyl myristate 36.81
    n-butyric acid 90.07
    acetyl acetate 160.92
    di(2-ethylhexyl) phthalate 36.76
    ethyl propionate 101.44
    nitromethane 439.74
    1,2-diethoxyethane 150.86
    benzonitrile 107.48
    trioctyl phosphate 25.66
    1-bromopropane 94.47
    gamma-valerolactone 316.24
    n-decanol 27.26
    triethyl phosphate 43.9
    4-methyl-2-pentanol 22.01
    propionitrile 145.93
    vinylene carbonate 164.33
    1,1,2-trichlorotrifluoroethane 216.03
    DMS 147.77
    cumene 32.91
    2-octanol 20.53
    2-hexanone 66.64
    octyl acetate 44.53
    limonene 33.4
    1,2-dimethoxyethane 203.56
    ethyl orthosilicate 38.96
    tributyl phosphate 33.45
    diacetone alcohol 82.37
    N,N-dimethylaniline 80.39
    acrylonitrile 217.04
    aniline 100.64
    1,3-propanediol 74.7
    bromobenzene 121.05
    dibromomethane 225.51
    1,1,2,2-tetrachloroethane 322.67
    2-methyl-cyclohexyl acetate 52.83
    tetrabutyl urea 43.09
    diisobutyl methanol 26.1
    2-phenylethanol 75.98
    styrene 63.27
    dioctyl adipate 53.19
    dimethyl sulfate 174.28
    ethyl butyrate 65.69
    methyl lactate 104.3
    butyl lactate 44.87
    diethyl carbonate 56.34
    propanediol butyl ether 72.91
    triethyl orthoformate 50.59
    p-tert-butyltoluene 27.55
    methyl 4-tert-butylbenzoate 81.62
    morpholine 384.81
    tert-butylamine 30.98
    n-dodecanol 23.07
    dimethoxymethane 210.32
    ethylene carbonate 133.07
    cyrene 94.24
    2-ethoxyethyl acetate 109.31
    2-ethylhexyl acetate 47.12
    1,2,4-trichlorobenzene 135.69
    4-methylpyridine 180.47
    dibutyl ether 49.17
    2,6-dimethyl-4-heptanol 26.1
    DEF 147.01
    dimethyl isosorbide 148.25
    tetrachloroethylene 200.86
    eugenol 81.68
    triacetin 114.05
    span 80 73.02
    1,4-butanediol 42.13
    1,1-dichloroethane 220.14
    2-methyl-1-pentanol 34.04
    methyl formate 165.74
    2-methyl-1-butanol 31.44
    n-decane 7.83
    butyronitrile 72.92
    3,7-dimethyl-1-octanol 39.08
    1-chlorooctane 29.14
    1-chlorotetradecane 15.62
    n-nonane 7.09
    undecane 6.4
    tert-butylcyclohexane 9.33
    cyclooctane 4.95
    cyclopentanol 50.71
    tetrahydropyran 176.29
    tert-amyl methyl ether 42.59
    2,5,8-trioxanonane 207.61
    1-hexene 27.7
    2-isopropoxyethanol 87.5
    2,2,2-trifluoroethanol 96.24
    methyl butyrate 93.7

    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