1-(3a,4,7,7a-tetrahydro-3H-inden-5-yl)ethanone

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  • Identifiers

    Molecular formula
    C11H14O

    SMILES
    CC(=O)C1=CCC2C=CCC2C1

  • Odor profile

    Fruity 83.18%
    Floral 76.83%
    Green 75.18%
    Herbal 43.85%
    Woody 43.1%
    Jasmin 40.28%
    Fresh 37.27%
    Melon 31.41%
    Aldehydic 29.21%
    Natural 26.95%

    Scent© AI

  • Properties

    XLogP3-AA
    2.0

    Molecular weight
    162.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    251°C

    Flash point est.
    115.31 ˚C

  • Synonyms

    • SCHEMBL3013497

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 221.31
    methanol 163.62
    isopropanol 218.34
    water 1.19
    ethyl acetate 307.32
    n-propanol 208.78
    acetone 288.36
    n-butanol 191.87
    acetonitrile 380.17
    DMF 367.23
    toluene 347.06
    isobutanol 167.24
    1,4-dioxane 704.01
    methyl acetate 333.09
    THF 493.91
    2-butanone 321.33
    n-pentanol 117.15
    sec-butanol 169.98
    n-hexane 20.25
    ethylene glycol 55.08
    NMP 234.64
    cyclohexane 63.78
    DMSO 251.25
    n-butyl acetate 196.14
    n-octanol 100.1
    chloroform 1105.36
    n-propyl acetate 151.17
    acetic acid 150.35
    dichloromethane 852.02
    cyclohexanone 380.46
    propylene glycol 88.68
    isopropyl acetate 164.06
    DMAc 287.71
    2-ethoxyethanol 160.65
    isopentanol 163.85
    n-heptane 27.5
    ethyl formate 185.26
    1,2-dichloroethane 400.1
    n-hexanol 187.96
    2-methoxyethanol 274.52
    isobutyl acetate 104.69
    tetrachloromethane 140.47
    n-pentyl acetate 116.06
    transcutol 888.01
    n-heptanol 87.66
    ethylbenzene 148.68
    MIBK 155.16
    2-propoxyethanol 273.61
    tert-butanol 221.93
    MTBE 187.34
    2-butoxyethanol 157.77
    propionic acid 175.58
    o-xylene 183.62
    formic acid 49.37
    diethyl ether 247.1
    m-xylene 204.71
    p-xylene 181.87
    chlorobenzene 294.27
    dimethyl carbonate 114.87
    n-octane 14.64
    formamide 107.8
    cyclopentanone 356.55
    2-pentanone 223.07
    anisole 254.23
    cyclopentyl methyl ether 217.05
    gamma-butyrolactone 365.93
    1-methoxy-2-propanol 251.02
    pyridine 528.84
    3-pentanone 193.98
    furfural 340.02
    n-dodecane 17.07
    diethylene glycol 212.75
    diisopropyl ether 79.44
    tert-amyl alcohol 149.11
    acetylacetone 236.06
    n-hexadecane 19.71
    acetophenone 196.86
    methyl propionate 231.06
    isopentyl acetate 177.87
    trichloroethylene 746.04
    n-nonanol 91.19
    cyclohexanol 191.14
    benzyl alcohol 179.01
    2-ethylhexanol 107.89
    isooctanol 76.96
    dipropyl ether 129.64
    1,2-dichlorobenzene 234.83
    ethyl lactate 83.42
    propylene carbonate 234.91
    n-methylformamide 177.59
    2-pentanol 133.41
    n-pentane 30.26
    1-propoxy-2-propanol 201.02
    1-methoxy-2-propyl acetate 215.3
    2-(2-methoxypropoxy) propanol 199.39
    mesitylene 122.91
    ε-caprolactone 302.17
    p-cymene 90.42
    epichlorohydrin 466.25
    1,1,1-trichloroethane 416.83
    2-aminoethanol 110.84
    morpholine-4-carbaldehyde 365.47
    sulfolane 278.32
    2,2,4-trimethylpentane 17.45
    2-methyltetrahydrofuran 354.47
    n-hexyl acetate 184.99
    isooctane 19.0
    2-(2-butoxyethoxy)ethanol 268.35
    sec-butyl acetate 116.99
    tert-butyl acetate 162.03
    decalin 34.6
    glycerin 108.52
    diglyme 446.28
    acrylic acid 146.26
    isopropyl myristate 91.69
    n-butyric acid 213.93
    acetyl acetate 180.23
    di(2-ethylhexyl) phthalate 91.05
    ethyl propionate 147.91
    nitromethane 313.71
    1,2-diethoxyethane 295.64
    benzonitrile 292.22
    trioctyl phosphate 61.71
    1-bromopropane 277.2
    gamma-valerolactone 440.77
    n-decanol 74.22
    triethyl phosphate 77.55
    4-methyl-2-pentanol 95.22
    propionitrile 300.2
    vinylene carbonate 264.19
    1,1,2-trichlorotrifluoroethane 231.75
    DMS 177.93
    cumene 97.4
    2-octanol 65.29
    2-hexanone 148.92
    octyl acetate 106.29
    limonene 110.52
    1,2-dimethoxyethane 291.72
    ethyl orthosilicate 73.88
    tributyl phosphate 77.99
    diacetone alcohol 168.71
    N,N-dimethylaniline 151.99
    acrylonitrile 339.76
    aniline 281.44
    1,3-propanediol 154.23
    bromobenzene 332.4
    dibromomethane 584.34
    1,1,2,2-tetrachloroethane 519.91
    2-methyl-cyclohexyl acetate 128.43
    tetrabutyl urea 94.41
    diisobutyl methanol 80.79
    2-phenylethanol 181.67
    styrene 176.18
    dioctyl adipate 115.81
    dimethyl sulfate 131.64
    ethyl butyrate 149.23
    methyl lactate 107.66
    butyl lactate 100.61
    diethyl carbonate 119.42
    propanediol butyl ether 158.97
    triethyl orthoformate 103.08
    p-tert-butyltoluene 83.96
    methyl 4-tert-butylbenzoate 163.83
    morpholine 577.87
    tert-butylamine 148.97
    n-dodecanol 61.99
    dimethoxymethane 260.53
    ethylene carbonate 217.71
    cyrene 146.16
    2-ethoxyethyl acetate 197.86
    2-ethylhexyl acetate 136.97
    1,2,4-trichlorobenzene 270.54
    4-methylpyridine 443.86
    dibutyl ether 125.37
    2,6-dimethyl-4-heptanol 80.79
    DEF 201.13
    dimethyl isosorbide 270.09
    tetrachloroethylene 316.42
    eugenol 167.18
    triacetin 200.95
    span 80 160.64
    1,4-butanediol 63.73
    1,1-dichloroethane 485.96
    2-methyl-1-pentanol 113.64
    methyl formate 145.09
    2-methyl-1-butanol 145.32
    n-decane 24.37
    butyronitrile 258.11
    3,7-dimethyl-1-octanol 110.67
    1-chlorooctane 77.84
    1-chlorotetradecane 40.69
    n-nonane 21.5
    undecane 20.1
    tert-butylcyclohexane 29.44
    cyclooctane 23.61
    cyclopentanol 176.39
    tetrahydropyran 470.86
    tert-amyl methyl ether 121.22
    2,5,8-trioxanonane 317.07
    1-hexene 81.04
    2-isopropoxyethanol 131.56
    2,2,2-trifluoroethanol 78.25
    methyl butyrate 164.95

    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