Isoleptospermone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    7375-66-8

    Molecular formula
    C15H22O4

    SMILES
    CCC(C)C(=O)C1C(=O)C(C(=O)C(C1=O)(C)C)(C)C

  • Odor profile

    Fruity 46.96%
    Caramellic 38.64%
    Mint 32.15%
    Woody 31.25%
    Burnt 30.64%
    Herbal 30.0%
    Tobacco 28.17%
    Ketonic 24.67%
    Dry 23.8%
    Sweet 23.6%

    Scent© AI

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    6.18 (neutral)

    Molecular weight
    266.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    420°C

    Flash point est.
    140.51 ˚C

  • Synonyms

    • Isoleptospermone
    • Adleptospermone
    • I1GHU5G4KJ
    • 2,2,4,4-Tetramethyl-6-(2-methylbutanoyl)cyclohexane-1,3,5-trione
    • Isoleptospermone [INCI]
    • UNII-I1GHU5G4KJ
    • 5009-05-2
    • 1,3,5-Cyclohexanetrione, 2,2,4,4-tetramethyl-6-(2-methyl-1-oxobutyl)-
    • 1,3,5-Cyclohexanetrione, 2,2,4,4-tetramethyl-6-(2-methylbutyryl)-
    • 2,2,4,4-tetramethyl-6-(2-methyl-1-oxobutyl)-1,3,5-cyclohexanetrione
    • iso-Leptospermone
    • 7375-66-8
    • SCHEMBL11366019
    • DTXSID90732303
    • CHEBI:174520
    • ZDZMTTISWJCOAE-UHFFFAOYSA-N
    • AKOS040752115
    • Q27280248

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 82.2
    methanol 68.98
    isopropanol 102.1
    water 0.43
    ethyl acetate 142.35
    n-propanol 102.35
    acetone 177.35
    n-butanol 105.82
    acetonitrile 101.45
    DMF 370.4
    toluene 303.04
    isobutanol 97.65
    1,4-dioxane 379.5
    methyl acetate 163.16
    THF 649.15
    2-butanone 211.98
    n-pentanol 91.61
    sec-butanol 120.04
    n-hexane 25.95
    ethylene glycol 16.5
    NMP 578.64
    cyclohexane 58.7
    DMSO 177.18
    n-butyl acetate 133.44
    n-octanol 57.63
    chloroform 595.06
    n-propyl acetate 106.89
    acetic acid 94.96
    dichloromethane 401.16
    cyclohexanone 414.58
    propylene glycol 27.13
    isopropyl acetate 115.36
    DMAc 374.92
    2-ethoxyethanol 97.76
    isopentanol 106.73
    n-heptane 13.02
    ethyl formate 108.85
    1,2-dichloroethane 275.92
    n-hexanol 131.17
    2-methoxyethanol 136.12
    isobutyl acetate 85.6
    tetrachloromethane 123.66
    n-pentyl acetate 103.72
    transcutol 98.44
    n-heptanol 69.07
    ethylbenzene 158.31
    MIBK 122.7
    2-propoxyethanol 166.53
    tert-butanol 128.0
    MTBE 131.37
    2-butoxyethanol 99.22
    propionic acid 94.47
    o-xylene 184.88
    formic acid 37.13
    diethyl ether 119.56
    m-xylene 173.69
    p-xylene 212.53
    chlorobenzene 273.21
    dimethyl carbonate 88.24
    n-octane 8.59
    formamide 67.11
    cyclopentanone 499.45
    2-pentanone 163.88
    anisole 183.45
    cyclopentyl methyl ether 255.07
    gamma-butyrolactone 485.42
    1-methoxy-2-propanol 123.67
    pyridine 417.1
    3-pentanone 156.03
    furfural 386.11
    n-dodecane 6.41
    diethylene glycol 95.8
    diisopropyl ether 53.18
    tert-amyl alcohol 137.9
    acetylacetone 187.66
    n-hexadecane 7.87
    acetophenone 198.28
    methyl propionate 146.55
    isopentyl acetate 135.46
    trichloroethylene 562.89
    n-nonanol 55.38
    cyclohexanol 194.65
    benzyl alcohol 162.01
    2-ethylhexanol 82.49
    isooctanol 57.25
    dipropyl ether 65.45
    1,2-dichlorobenzene 231.38
    ethyl lactate 59.58
    propylene carbonate 274.18
    n-methylformamide 131.51
    2-pentanol 84.57
    n-pentane 23.1
    1-propoxy-2-propanol 103.83
    1-methoxy-2-propyl acetate 130.83
    2-(2-methoxypropoxy) propanol 81.34
    mesitylene 105.76
    ε-caprolactone 338.42
    p-cymene 72.26
    epichlorohydrin 456.39
    1,1,1-trichloroethane 317.62
    2-aminoethanol 38.94
    morpholine-4-carbaldehyde 374.65
    sulfolane 445.83
    2,2,4-trimethylpentane 16.77
    2-methyltetrahydrofuran 420.78
    n-hexyl acetate 128.29
    isooctane 11.74
    2-(2-butoxyethoxy)ethanol 82.96
    sec-butyl acetate 91.44
    tert-butyl acetate 125.1
    decalin 41.83
    glycerin 39.01
    diglyme 159.94
    acrylic acid 87.03
    isopropyl myristate 50.2
    n-butyric acid 122.97
    acetyl acetate 111.12
    di(2-ethylhexyl) phthalate 62.5
    ethyl propionate 113.02
    nitromethane 176.64
    1,2-diethoxyethane 75.31
    benzonitrile 211.76
    trioctyl phosphate 43.11
    1-bromopropane 177.52
    gamma-valerolactone 482.77
    n-decanol 39.58
    triethyl phosphate 64.41
    4-methyl-2-pentanol 59.63
    propionitrile 127.37
    vinylene carbonate 234.08
    1,1,2-trichlorotrifluoroethane 216.39
    DMS 119.71
    cumene 93.48
    2-octanol 54.54
    2-hexanone 133.79
    octyl acetate 64.41
    limonene 87.33
    1,2-dimethoxyethane 209.49
    ethyl orthosilicate 62.32
    tributyl phosphate 47.71
    diacetone alcohol 131.06
    N,N-dimethylaniline 151.45
    acrylonitrile 139.92
    aniline 196.07
    1,3-propanediol 71.65
    bromobenzene 300.7
    dibromomethane 314.67
    1,1,2,2-tetrachloroethane 485.76
    2-methyl-cyclohexyl acetate 114.99
    tetrabutyl urea 72.72
    diisobutyl methanol 44.55
    2-phenylethanol 171.84
    styrene 161.35
    dioctyl adipate 68.24
    dimethyl sulfate 148.55
    ethyl butyrate 92.04
    methyl lactate 73.39
    butyl lactate 68.82
    diethyl carbonate 68.9
    propanediol butyl ether 61.37
    triethyl orthoformate 70.97
    p-tert-butyltoluene 71.31
    methyl 4-tert-butylbenzoate 137.21
    morpholine 389.55
    tert-butylamine 88.1
    n-dodecanol 28.99
    dimethoxymethane 189.28
    ethylene carbonate 194.57
    cyrene 157.07
    2-ethoxyethyl acetate 107.39
    2-ethylhexyl acetate 120.13
    1,2,4-trichlorobenzene 282.01
    4-methylpyridine 448.23
    dibutyl ether 49.75
    2,6-dimethyl-4-heptanol 44.55
    DEF 200.29
    dimethyl isosorbide 207.38
    tetrachloroethylene 322.62
    eugenol 117.41
    triacetin 95.55
    span 80 78.2
    1,4-butanediol 41.5
    1,1-dichloroethane 279.78
    2-methyl-1-pentanol 102.9
    methyl formate 118.12
    2-methyl-1-butanol 113.23
    n-decane 11.68
    butyronitrile 141.39
    3,7-dimethyl-1-octanol 56.27
    1-chlorooctane 51.27
    1-chlorotetradecane 21.24
    n-nonane 10.12
    undecane 8.37
    tert-butylcyclohexane 30.53
    cyclooctane 19.83
    cyclopentanol 222.9
    tetrahydropyran 366.29
    tert-amyl methyl ether 120.26
    2,5,8-trioxanonane 112.87
    1-hexene 74.97
    2-isopropoxyethanol 86.06
    2,2,2-trifluoroethanol 58.68
    methyl butyrate 145.52

    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

Botanical

Name CAS Botanical Proportion
Manuka (New Zealand) Leptospermum scoparium 2.35%