1-(3,5-Di-tert-butylphenyl)ethanone

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  • Identifiers

    CAS number
    1756-31-6

    Molecular formula
    C16H24O

    SMILES
    CC(=O)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C

  • Odor profile

    Woody 65.61%
    Musk 47.82%
    Dry 47.16%
    Amber 40.33%
    Herbal 38.78%
    Leathery 37.25%
    Floral 37.14%
    Vetiver 36.03%
    Camphoreous 34.18%
    Orris 33.94%

    Scent© AI

  • Properties

    XLogP3-AA
    4.9

    Molecular weight
    232.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    269°C

    Flash point est.
    116.11 ˚C

  • Synonyms

    • 1756-31-6
    • 1-(3,5-di-tert-butylphenyl)ethanone
    • 1-(3,5-ditert-butylphenyl)ethanone
    • Ethanone, 1-[3,5-bis(1,1-dimethylethyl)phenyl]-
    • 1-(3,5-DI-TERT-BUTYLPHENYL)ETHAN-1-ONE
    • DTXSID00441095
    • SCHEMBL2776048
    • DTXCID70391917
    • STL073133
    • 1-(3,5-Di-tert-butylphenyl)ethanon
    • AKOS002211656
    • NCGC00322923-01
    • CS-0318413
    • D80062
    • AB01317302-02

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 142.3
    methanol 99.07
    isopropanol 141.62
    water 0.93
    ethyl acetate 264.97
    n-propanol 150.68
    acetone 342.19
    n-butanol 138.55
    acetonitrile 233.07
    DMF 619.87
    toluene 273.78
    isobutanol 127.95
    1,4-dioxane 470.46
    methyl acetate 330.99
    THF 812.45
    2-butanone 379.44
    n-pentanol 119.83
    sec-butanol 161.28
    n-hexane 59.43
    ethylene glycol 34.4
    NMP 686.03
    cyclohexane 81.44
    DMSO 243.05
    n-butyl acetate 309.72
    n-octanol 129.41
    chloroform 878.98
    n-propyl acetate 227.57
    acetic acid 142.83
    dichloromethane 661.67
    cyclohexanone 534.48
    propylene glycol 97.59
    isopropyl acetate 196.77
    DMAc 584.55
    2-ethoxyethanol 140.19
    isopentanol 123.5
    n-heptane 61.63
    ethyl formate 218.98
    1,2-dichloroethane 348.67
    n-hexanol 198.6
    2-methoxyethanol 212.93
    isobutyl acetate 186.51
    tetrachloromethane 131.13
    n-pentyl acetate 190.03
    transcutol 268.11
    n-heptanol 129.02
    ethylbenzene 216.39
    MIBK 181.31
    2-propoxyethanol 278.8
    tert-butanol 193.84
    MTBE 212.11
    2-butoxyethanol 185.18
    propionic acid 169.43
    o-xylene 200.24
    formic acid 42.68
    diethyl ether 157.9
    m-xylene 202.84
    p-xylene 317.35
    chlorobenzene 330.52
    dimethyl carbonate 165.59
    n-octane 32.69
    formamide 91.81
    cyclopentanone 749.36
    2-pentanone 260.72
    anisole 322.1
    cyclopentyl methyl ether 317.76
    gamma-butyrolactone 693.39
    1-methoxy-2-propanol 216.0
    pyridine 493.47
    3-pentanone 241.59
    furfural 583.45
    n-dodecane 29.88
    diethylene glycol 144.63
    diisopropyl ether 76.63
    tert-amyl alcohol 187.55
    acetylacetone 358.78
    n-hexadecane 33.68
    acetophenone 331.84
    methyl propionate 276.08
    isopentyl acetate 281.32
    trichloroethylene 738.03
    n-nonanol 128.13
    cyclohexanol 183.79
    benzyl alcohol 232.76
    2-ethylhexanol 172.56
    isooctanol 111.71
    dipropyl ether 189.43
    1,2-dichlorobenzene 316.42
    ethyl lactate 150.71
    propylene carbonate 491.7
    n-methylformamide 222.07
    2-pentanol 111.94
    n-pentane 42.08
    1-propoxy-2-propanol 257.2
    1-methoxy-2-propyl acetate 308.53
    2-(2-methoxypropoxy) propanol 216.4
    mesitylene 135.49
    ε-caprolactone 459.01
    p-cymene 162.63
    epichlorohydrin 603.18
    1,1,1-trichloroethane 486.2
    2-aminoethanol 85.15
    morpholine-4-carbaldehyde 560.83
    sulfolane 661.43
    2,2,4-trimethylpentane 33.59
    2-methyltetrahydrofuran 507.14
    n-hexyl acetate 260.35
    isooctane 23.45
    2-(2-butoxyethoxy)ethanol 207.93
    sec-butyl acetate 177.44
    tert-butyl acetate 220.62
    decalin 71.53
    glycerin 97.67
    diglyme 339.22
    acrylic acid 149.68
    isopropyl myristate 146.93
    n-butyric acid 223.36
    acetyl acetate 205.46
    di(2-ethylhexyl) phthalate 154.94
    ethyl propionate 225.45
    nitromethane 327.49
    1,2-diethoxyethane 184.77
    benzonitrile 318.58
    trioctyl phosphate 115.35
    1-bromopropane 251.58
    gamma-valerolactone 781.88
    n-decanol 108.14
    triethyl phosphate 159.6
    4-methyl-2-pentanol 81.46
    propionitrile 235.65
    vinylene carbonate 421.57
    1,1,2-trichlorotrifluoroethane 389.65
    DMS 246.7
    cumene 161.28
    2-octanol 104.16
    2-hexanone 247.9
    octyl acetate 180.86
    limonene 191.43
    1,2-dimethoxyethane 334.86
    ethyl orthosilicate 144.9
    tributyl phosphate 125.4
    diacetone alcohol 239.99
    N,N-dimethylaniline 279.21
    acrylonitrile 282.74
    aniline 240.31
    1,3-propanediol 106.81
    bromobenzene 377.45
    dibromomethane 474.09
    1,1,2,2-tetrachloroethane 630.86
    2-methyl-cyclohexyl acetate 279.5
    tetrabutyl urea 173.99
    diisobutyl methanol 99.59
    2-phenylethanol 270.91
    styrene 227.43
    dioctyl adipate 222.83
    dimethyl sulfate 246.66
    ethyl butyrate 262.18
    methyl lactate 174.64
    butyl lactate 175.07
    diethyl carbonate 199.23
    propanediol butyl ether 187.25
    triethyl orthoformate 192.24
    p-tert-butyltoluene 165.17
    methyl 4-tert-butylbenzoate 281.98
    morpholine 482.07
    tert-butylamine 148.71
    n-dodecanol 92.11
    dimethoxymethane 299.27
    ethylene carbonate 322.08
    cyrene 320.45
    2-ethoxyethyl acetate 207.75
    2-ethylhexyl acetate 254.86
    1,2,4-trichlorobenzene 388.13
    4-methylpyridine 517.89
    dibutyl ether 162.21
    2,6-dimethyl-4-heptanol 99.59
    DEF 295.02
    dimethyl isosorbide 488.27
    tetrachloroethylene 303.43
    eugenol 264.25
    triacetin 255.53
    span 80 247.59
    1,4-butanediol 62.77
    1,1-dichloroethane 422.11
    2-methyl-1-pentanol 123.66
    methyl formate 198.47
    2-methyl-1-butanol 127.91
    n-decane 43.14
    butyronitrile 229.82
    3,7-dimethyl-1-octanol 133.48
    1-chlorooctane 122.98
    1-chlorotetradecane 67.97
    n-nonane 40.39
    undecane 34.69
    tert-butylcyclohexane 66.06
    cyclooctane 38.06
    cyclopentanol 241.62
    tetrahydropyran 434.57
    tert-amyl methyl ether 180.43
    2,5,8-trioxanonane 270.94
    1-hexene 139.05
    2-isopropoxyethanol 128.74
    2,2,2-trifluoroethanol 77.57
    methyl butyrate 305.07

    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