1H-Inden-1-one, 2,3-dihydro-2-(1-methylethyl)-

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  • Identifiers

    CAS number
    53446-63-2

    Molecular formula
    C12H14O

    SMILES
    CC(C)C1CC2=CC=CC=C2C1=O

    Safety labels

  • Odor profile

    Fragrance
    Herbal 71.45%
    Mint 56.95%
    Woody 49.78%
    Camphoreous 45.47%
    Spicy 44.93%
    Phenolic 42.9%
    Cooling 35.57%
    Medicinal 32.41%
    Balsamic 28.78%
    Fresh 27.28%

     

    Flavor
    Bitter 60.02%
    Herbal 47.11%
    Minty 23.34%
    Lovage 20.51%
    Cedarleaf 20.25%
    Herb 19.7%
    Basil 18.97%
    Celery 18.62%
    Creosote 18.33%
    Outdoor 18.32%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.78 (neutral)

    Molecular weight
    174.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    281°C

    Flash point

    • 114.51 ˚C est.

  • Synonyms

    • 53446-63-2
    • 2-Isopropyl-1-indanone
    • 1H-Inden-1-one, 2,3-dihydro-2-(1-methylethyl)-
    • EINECS 258-558-8
    • DTXSID50866335
    • RefChem:438569
    • DTXCID80814627
    • 2-Isopropylindan-1-one
    • 2-propan-2-yl-2,3-dihydroinden-1-one
    • 2,3-dihydro-2-(1-methylethyl)-1H-Inden-1-one
    • isopropyl indanone
    • AT4LVT64TJ
    • 2-(propan-2-yl)-2,3-dihydro-1H-inden-1-one
    • SCHEMBL4402124
    • WBCAKNRIXCUKPZ-UHFFFAOYSA-N
    • AKOS017983559
    • DB-314120
    • NS00012736
    • 53446-63-2

  • Applications

    1H-Inden-1-one, 2,3-dihydro-2-(1-methylethyl)- (CAS 53446-63-2) is commonly used as a synthetic intermediate for fragrance and odorant compounds in perfumery and cosmetics; it also serves as a building block for fragrance components in household and cleaning products. In coatings and inks, the compound can function as a synthetic intermediate or fragrance additive for scented coatings and printed materials. Additionally, it is evaluated as a precursor for polymers/plastics-related intermediates and may form a basis for pharmaceutical synthesis, depending on formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 358.13
    methanol 262.66
    isopropanol 350.09
    water 3.74
    ethyl acetate 386.43
    n-propanol 360.66
    acetone 604.7
    n-butanol 340.4
    acetonitrile 734.45
    DMF 914.25
    toluene 370.25
    isobutanol 306.16
    1,4-dioxane 689.81
    methyl acetate 477.53
    THF 691.62
    2-butanone 578.73
    n-pentanol 217.39
    sec-butanol 303.86
    n-hexane 38.61
    ethylene glycol 78.24
    NMP 560.42
    cyclohexane 87.69
    DMSO 311.35
    n-butyl acetate 400.55
    n-octanol 218.0
    chloroform 2215.92
    n-propyl acetate 298.2
    acetic acid 295.12
    dichloromethane 1891.17
    cyclohexanone 816.35
    propylene glycol 113.8
    isopropyl acetate 224.03
    DMAc 509.49
    2-ethoxyethanol 222.47
    isopentanol 283.46
    n-heptane 42.32
    ethyl formate 453.57
    1,2-dichloroethane 897.24
    n-hexanol 324.83
    2-methoxyethanol 361.72
    isobutyl acetate 191.99
    tetrachloromethane 294.9
    n-pentyl acetate 250.19
    transcutol 582.95
    n-heptanol 190.58
    ethylbenzene 237.23
    MIBK 246.9
    2-propoxyethanol 361.5
    tert-butanol 294.18
    MTBE 241.34
    2-butoxyethanol 247.8
    propionic acid 325.52
    o-xylene 243.89
    formic acid 80.14
    diethyl ether 299.8
    m-xylene 254.0
    p-xylene 306.31
    chlorobenzene 591.77
    dimethyl carbonate 189.28
    n-octane 29.01
    formamide 199.48
    cyclopentanone 768.98
    2-pentanone 414.06
    anisole 349.26
    cyclopentyl methyl ether 300.09
    gamma-butyrolactone 799.08
    1-methoxy-2-propanol 291.06
    pyridine 917.08
    3-pentanone 315.27
    furfural 759.07
    n-dodecane 31.0
    diethylene glycol 253.9
    diisopropyl ether 95.96
    tert-amyl alcohol 247.59
    acetylacetone 370.27
    n-hexadecane 36.15
    acetophenone 341.9
    methyl propionate 319.69
    isopentyl acetate 334.44
    trichloroethylene 1825.26
    n-nonanol 176.04
    cyclohexanol 323.9
    benzyl alcohol 308.66
    2-ethylhexanol 199.44
    isooctanol 150.61
    dipropyl ether 164.63
    1,2-dichlorobenzene 495.86
    ethyl lactate 150.52
    propylene carbonate 576.09
    n-methylformamide 442.04
    2-pentanol 218.37
    n-pentane 43.31
    1-propoxy-2-propanol 275.82
    1-methoxy-2-propyl acetate 277.56
    2-(2-methoxypropoxy) propanol 240.12
    mesitylene 163.06
    ε-caprolactone 604.89
    p-cymene 155.35
    epichlorohydrin 844.68
    1,1,1-trichloroethane 815.61
    2-aminoethanol 156.54
    morpholine-4-carbaldehyde 543.51
    sulfolane 597.26
    2,2,4-trimethylpentane 27.47
    2-methyltetrahydrofuran 482.82
    n-hexyl acetate 366.77
    isooctane 26.08
    2-(2-butoxyethoxy)ethanol 301.94
    sec-butyl acetate 182.26
    tert-butyl acetate 208.12
    decalin 54.1
    glycerin 126.99
    diglyme 507.85
    acrylic acid 291.96
    isopropyl myristate 153.74
    n-butyric acid 431.04
    acetyl acetate 247.9
    di(2-ethylhexyl) phthalate 146.71
    ethyl propionate 243.11
    nitromethane 631.04
    1,2-diethoxyethane 286.22
    benzonitrile 597.58
    trioctyl phosphate 113.45
    1-bromopropane 490.95
    gamma-valerolactone 820.81
    n-decanol 138.6
    triethyl phosphate 131.59
    4-methyl-2-pentanol 133.18
    propionitrile 567.05
    vinylene carbonate 614.28
    1,1,2-trichlorotrifluoroethane 440.75
    DMS 285.59
    cumene 167.21
    2-octanol 155.83
    2-hexanone 288.2
    octyl acetate 197.27
    limonene 174.98
    1,2-dimethoxyethane 430.95
    ethyl orthosilicate 119.19
    tributyl phosphate 130.29
    diacetone alcohol 239.05
    N,N-dimethylaniline 226.42
    acrylonitrile 717.04
    aniline 395.14
    1,3-propanediol 254.63
    bromobenzene 647.15
    dibromomethane 1196.15
    1,1,2,2-tetrachloroethane 1154.25
    2-methyl-cyclohexyl acetate 209.13
    tetrabutyl urea 171.3
    diisobutyl methanol 114.71
    2-phenylethanol 312.33
    styrene 287.69
    dioctyl adipate 201.11
    dimethyl sulfate 222.16
    ethyl butyrate 258.25
    methyl lactate 164.7
    butyl lactate 190.12
    diethyl carbonate 213.17
    propanediol butyl ether 228.35
    triethyl orthoformate 163.2
    p-tert-butyltoluene 136.23
    methyl 4-tert-butylbenzoate 274.5
    morpholine 627.88
    tert-butylamine 209.18
    n-dodecanol 112.83
    dimethoxymethane 369.5
    ethylene carbonate 480.26
    cyrene 228.44
    2-ethoxyethyl acetate 280.57
    2-ethylhexyl acetate 262.85
    1,2,4-trichlorobenzene 509.47
    4-methylpyridine 818.59
    dibutyl ether 204.82
    2,6-dimethyl-4-heptanol 114.71
    DEF 387.19
    dimethyl isosorbide 379.09
    tetrachloroethylene 776.0
    eugenol 266.64
    triacetin 271.31
    span 80 214.69
    1,4-butanediol 119.32
    1,1-dichloroethane 988.48
    2-methyl-1-pentanol 212.29
    methyl formate 400.11
    2-methyl-1-butanol 271.78
    n-decane 46.27
    butyronitrile 578.56
    3,7-dimethyl-1-octanol 174.67
    1-chlorooctane 174.6
    1-chlorotetradecane 78.24
    n-nonane 45.07
    undecane 37.36
    tert-butylcyclohexane 47.15
    cyclooctane 31.28
    cyclopentanol 322.04
    tetrahydropyran 559.12
    tert-amyl methyl ether 173.94
    2,5,8-trioxanonane 344.04
    1-hexene 151.04
    2-isopropoxyethanol 178.67
    2,2,2-trifluoroethanol 165.06
    methyl butyrate 356.8

    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