3,3,5-Trimethylcyclohexyl N-acetylanthranilate

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  • Identifiers

    CAS number
    73486-91-6

    Molecular formula
    C18H25NO3

    SMILES
    CC1CC(CC(C1)(C)C)OC(=O)C2=CC=CC=C2NC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 52.5%
    Grape 52.19%
    Floral 33.3%
    Mint 31.24%
    Citrus 30.83%
    Odorless 29.43%
    Grapefruit 26.28%
    Berry 26.25%
    Cooling 25.92%
    Animal 25.23%

     

    Flavor
    Fruity 54.7%
    Sweet 36.47%
    Powdery 30.94%
    Bitter 30.77%
    Floral 27.5%
    Grape 25.56%
    Odorless 24.93%
    Woody 24.91%
    Mild 24.38%
    Herbal 24.09%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    7.31 (neutral)

    Molecular weight
    303.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    404°C

    Flash point

    • 173.95 ˚C est.

  • Synonyms

    • 73486-91-6
    • EINECS 277-478-4
    • 3,3,5-Trimethylcyclohexyl N-acetylanthranilate
    • SCHEMBL1479151
    • SCHEMBL29572294
    • DTXSID90994242
    • ZHKXQINATDRSHN-UHFFFAOYSA-N
    • DB-394084
    • NS00060269
    • 3,3,5-trimethylcyclohexyl-2-acetamidobenzoat
    • 3,3,5-Trimethylcyclohexyl 2-(acetylamino)benzoate
    • N-(2-{[(3,3,5-Trimethylcyclohexyl)oxy]carbonyl}phenyl)ethanimidic acid
    • 73486-91-6

  • Applications

    3,3,5-Trimethylcyclohexyl N-acetylanthranilate is primarily used as a fragrance ingredient and fixative in perfumery and cosmetic/personal-care formulations, helping to impart and stabilize scent. It is also evaluated as an intermediate in the synthesis of more complex fragrance compounds. The compound may be employed in household products such as cleaners to contribute a fragrance profile. In industrial contexts, it can be considered for use as a scent additive in polymers/plastics and coatings/inks, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 331.07
    methanol 413.29
    isopropanol 193.48
    water 0.71
    ethyl acetate 250.34
    n-propanol 233.89
    acetone 402.66
    n-butanol 205.87
    acetonitrile 163.39
    DMF 889.05
    toluene 70.73
    isobutanol 171.35
    1,4-dioxane 282.97
    methyl acetate 252.88
    THF 838.4
    2-butanone 276.46
    n-pentanol 125.28
    sec-butanol 151.16
    n-hexane 3.82
    ethylene glycol 81.57
    NMP 915.94
    cyclohexane 5.21
    DMSO 610.2
    n-butyl acetate 176.68
    n-octanol 63.99
    chloroform 572.27
    n-propyl acetate 146.31
    acetic acid 600.86
    dichloromethane 448.12
    cyclohexanone 445.27
    propylene glycol 199.44
    isopropyl acetate 190.08
    DMAc 820.72
    2-ethoxyethanol 214.4
    isopentanol 179.7
    n-heptane 2.47
    ethyl formate 179.67
    1,2-dichloroethane 302.49
    n-hexanol 140.48
    2-methoxyethanol 537.1
    isobutyl acetate 121.96
    tetrachloromethane 34.15
    n-pentyl acetate 118.62
    transcutol 1195.77
    n-heptanol 66.07
    ethylbenzene 26.97
    MIBK 188.84
    2-propoxyethanol 370.37
    tert-butanol 200.65
    MTBE 129.54
    2-butoxyethanol 186.75
    propionic acid 311.29
    o-xylene 42.98
    formic acid 264.65
    diethyl ether 100.01
    m-xylene 60.99
    p-xylene 43.3
    chlorobenzene 136.65
    dimethyl carbonate 172.08
    n-octane 1.51
    formamide 273.5
    cyclopentanone 646.61
    2-pentanone 248.82
    anisole 106.48
    cyclopentyl methyl ether 264.71
    gamma-butyrolactone 798.06
    1-methoxy-2-propanol 452.16
    pyridine 239.22
    3-pentanone 156.16
    furfural 513.86
    n-dodecane 1.69
    diethylene glycol 290.96
    diisopropyl ether 34.95
    tert-amyl alcohol 156.65
    acetylacetone 365.4
    n-hexadecane 1.99
    acetophenone 144.94
    methyl propionate 265.13
    isopentyl acetate 186.1
    trichloroethylene 683.62
    n-nonanol 59.63
    cyclohexanol 161.83
    benzyl alcohol 128.77
    2-ethylhexanol 71.11
    isooctanol 57.21
    dipropyl ether 51.13
    1,2-dichlorobenzene 135.64
    ethyl lactate 114.75
    propylene carbonate 416.75
    n-methylformamide 382.87
    2-pentanol 114.59
    n-pentane 3.48
    1-propoxy-2-propanol 240.84
    1-methoxy-2-propyl acetate 286.75
    2-(2-methoxypropoxy) propanol 234.2
    mesitylene 32.64
    ε-caprolactone 437.48
    p-cymene 27.22
    epichlorohydrin 813.23
    1,1,1-trichloroethane 245.09
    2-aminoethanol 203.54
    morpholine-4-carbaldehyde 707.91
    sulfolane 888.99
    2,2,4-trimethylpentane 4.53
    2-methyltetrahydrofuran 424.07
    n-hexyl acetate 186.94
    isooctane 3.73
    2-(2-butoxyethoxy)ethanol 327.59
    sec-butyl acetate 112.46
    tert-butyl acetate 213.64
    decalin 4.66
    glycerin 265.83
    diglyme 467.05
    acrylic acid 288.73
    isopropyl myristate 60.03
    n-butyric acid 384.76
    acetyl acetate 198.17
    di(2-ethylhexyl) phthalate 92.88
    ethyl propionate 130.81
    nitromethane 802.41
    1,2-diethoxyethane 165.7
    benzonitrile 146.19
    trioctyl phosphate 59.99
    1-bromopropane 109.55
    gamma-valerolactone 867.37
    n-decanol 43.29
    triethyl phosphate 67.26
    4-methyl-2-pentanol 80.41
    propionitrile 125.87
    vinylene carbonate 335.26
    1,1,2-trichlorotrifluoroethane 577.67
    DMS 211.02
    cumene 24.82
    2-octanol 41.5
    2-hexanone 146.24
    octyl acetate 91.02
    limonene 39.42
    1,2-dimethoxyethane 274.3
    ethyl orthosilicate 63.26
    tributyl phosphate 80.78
    diacetone alcohol 298.95
    N,N-dimethylaniline 77.83
    acrylonitrile 181.69
    aniline 136.96
    1,3-propanediol 281.35
    bromobenzene 114.65
    dibromomethane 236.71
    1,1,2,2-tetrachloroethane 553.69
    2-methyl-cyclohexyl acetate 125.78
    tetrabutyl urea 98.62
    diisobutyl methanol 37.98
    2-phenylethanol 157.09
    styrene 30.23
    dioctyl adipate 114.05
    dimethyl sulfate 316.03
    ethyl butyrate 113.14
    methyl lactate 229.66
    butyl lactate 140.1
    diethyl carbonate 84.94
    propanediol butyl ether 228.88
    triethyl orthoformate 89.52
    p-tert-butyltoluene 29.36
    methyl 4-tert-butylbenzoate 174.74
    morpholine 458.87
    tert-butylamine 80.63
    n-dodecanol 29.7
    dimethoxymethane 439.06
    ethylene carbonate 271.76
    cyrene 224.73
    2-ethoxyethyl acetate 215.1
    2-ethylhexyl acetate 133.53
    1,2,4-trichlorobenzene 200.85
    4-methylpyridine 284.32
    dibutyl ether 48.55
    2,6-dimethyl-4-heptanol 37.98
    DEF 308.97
    dimethyl isosorbide 383.81
    tetrachloroethylene 240.81
    eugenol 159.04
    triacetin 233.73
    span 80 202.72
    1,4-butanediol 87.82
    1,1-dichloroethane 293.48
    2-methyl-1-pentanol 122.0
    methyl formate 310.18
    2-methyl-1-butanol 165.04
    n-decane 2.88
    butyronitrile 139.17
    3,7-dimethyl-1-octanol 72.89
    1-chlorooctane 26.99
    1-chlorotetradecane 9.37
    n-nonane 2.51
    undecane 2.17
    tert-butylcyclohexane 5.16
    cyclooctane 2.06
    cyclopentanol 235.89
    tetrahydropyran 241.25
    tert-amyl methyl ether 108.73
    2,5,8-trioxanonane 321.76
    1-hexene 21.89
    2-isopropoxyethanol 160.24
    2,2,2-trifluoroethanol 207.66
    methyl butyrate 179.01

    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