1,3-Dimethyl-3-phenylbutyl acetate

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  • Identifiers

    CAS number
    68083-58-9

    Molecular formula
    C14H20O2

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

  • Odor profile

    Floral 88.01%
    Green 82.45%
    Fresh 61.83%
    Woody 55.52%
    Fruity 50.53%
    Herbal 46.82%
    Lily 44.44%
    Rose 41.38%
    Balsamic 41.35%
    Sweet 39.99%

    Scent© AI

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    7.51 (neutral)

    Molecular weight
    220.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    261°C

    Flash point est.
    122.93 ˚C

  • Synonyms

    • 68083-58-9
    • 4-Methyl-4-phenyl-2-pentyl acetate
    • 1,3-Dimethyl-3-phenylbutyl acetate
    • 3-Phenyl-1,3-dimethylbutyl acetate
    • Vetikolacetate
    • (4-methyl-4-phenylpentan-2-yl) acetate
    • EINECS 268-407-8
    • DTXSID4052392
    • 4-METHYL-4-PHENYLPENTAN-2-YL ACETATE
    • Benzenepropanol, alpha,gamma,gamma-trimethyl-, 1-acetate
    • VETIKOL ACETATE
    • SCHEMBL296507
    • Benzenepropanol, alpha,gamma,gamma-trimethyl-, acetate
    • DTXCID4030964
    • MXIGGIZQUGDKAP-UHFFFAOYSA-N
    • Benzenepropanol, .alpha.,.gamma.,.gamma.-trimethyl-, acetate
    • TCA08358
    • NS00012325
    • (4-methyl-4-phenylpentan-2-yl) 68083-58-9acetate
    • Benzenepropanol, .alpha.,.gamma.,.gamma.-trimethyl-, 1-acetate
    • 268-407-8

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1521.75
    methanol 2299.27
    isopropanol 925.96
    water 2.82
    ethyl acetate 1131.5
    n-propanol 1183.84
    acetone 1375.42
    n-butanol 971.47
    acetonitrile 1269.55
    DMF 1696.62
    toluene 590.55
    isobutanol 781.71
    1,4-dioxane 2290.4
    methyl acetate 997.88
    THF 2432.54
    2-butanone 965.92
    n-pentanol 613.95
    sec-butanol 786.54
    n-hexane 185.8
    ethylene glycol 212.18
    NMP 1359.3
    cyclohexane 255.96
    DMSO 951.91
    n-butyl acetate 634.79
    n-octanol 277.47
    chloroform 2548.94
    n-propyl acetate 481.64
    acetic acid 840.22
    dichloromethane 2119.25
    cyclohexanone 1594.11
    propylene glycol 347.67
    isopropyl acetate 611.0
    DMAc 1245.5
    2-ethoxyethanol 621.26
    isopentanol 704.63
    n-heptane 76.16
    ethyl formate 599.83
    1,2-dichloroethane 1319.89
    n-hexanol 871.76
    2-methoxyethanol 1141.8
    isobutyl acetate 336.93
    tetrachloromethane 268.73
    n-pentyl acetate 335.98
    transcutol 1990.13
    n-heptanol 244.0
    ethylbenzene 289.65
    MIBK 485.38
    2-propoxyethanol 1080.8
    tert-butanol 977.17
    MTBE 966.37
    2-butoxyethanol 395.2
    propionic acid 784.83
    o-xylene 315.62
    formic acid 346.79
    diethyl ether 1386.56
    m-xylene 404.51
    p-xylene 338.44
    chlorobenzene 736.19
    dimethyl carbonate 387.43
    n-octane 26.98
    formamide 409.9
    cyclopentanone 1438.57
    2-pentanone 877.97
    anisole 526.89
    cyclopentyl methyl ether 1238.47
    gamma-butyrolactone 1604.39
    1-methoxy-2-propanol 859.91
    pyridine 1040.78
    3-pentanone 720.6
    furfural 1007.26
    n-dodecane 21.61
    diethylene glycol 655.63
    diisopropyl ether 304.01
    tert-amyl alcohol 739.56
    acetylacetone 816.31
    n-hexadecane 25.52
    acetophenone 423.77
    methyl propionate 835.03
    isopentyl acetate 536.05
    trichloroethylene 2034.54
    n-nonanol 232.0
    cyclohexanol 924.18
    benzyl alcohol 415.55
    2-ethylhexanol 366.57
    isooctanol 186.17
    dipropyl ether 489.83
    1,2-dichlorobenzene 547.57
    ethyl lactate 222.08
    propylene carbonate 832.93
    n-methylformamide 803.32
    2-pentanol 551.9
    n-pentane 139.24
    1-propoxy-2-propanol 613.87
    1-methoxy-2-propyl acetate 640.52
    2-(2-methoxypropoxy) propanol 398.33
    mesitylene 216.53
    ε-caprolactone 1205.58
    p-cymene 139.56
    epichlorohydrin 1719.57
    1,1,1-trichloroethane 1107.91
    2-aminoethanol 520.17
    morpholine-4-carbaldehyde 1406.66
    sulfolane 1340.23
    2,2,4-trimethylpentane 55.97
    2-methyltetrahydrofuran 1784.04
    n-hexyl acetate 571.63
    isooctane 40.06
    2-(2-butoxyethoxy)ethanol 579.6
    sec-butyl acetate 338.59
    tert-butyl acetate 612.45
    decalin 96.93
    glycerin 375.74
    diglyme 1009.6
    acrylic acid 545.35
    isopropyl myristate 187.9
    n-butyric acid 918.48
    acetyl acetate 598.88
    di(2-ethylhexyl) phthalate 181.26
    ethyl propionate 456.15
    nitromethane 1226.25
    1,2-diethoxyethane 650.4
    benzonitrile 537.24
    trioctyl phosphate 136.55
    1-bromopropane 900.67
    gamma-valerolactone 1659.03
    n-decanol 163.59
    triethyl phosphate 183.34
    4-methyl-2-pentanol 272.67
    propionitrile 907.88
    vinylene carbonate 762.54
    1,1,2-trichlorotrifluoroethane 862.21
    DMS 481.68
    cumene 187.21
    2-octanol 169.63
    2-hexanone 540.71
    octyl acetate 253.67
    limonene 237.07
    1,2-dimethoxyethane 1073.82
    ethyl orthosilicate 184.92
    tributyl phosphate 183.16
    diacetone alcohol 577.58
    N,N-dimethylaniline 339.44
    acrylonitrile 833.83
    aniline 681.97
    1,3-propanediol 596.1
    bromobenzene 742.11
    dibromomethane 1437.11
    1,1,2,2-tetrachloroethane 1656.9
    2-methyl-cyclohexyl acetate 348.63
    tetrabutyl urea 226.06
    diisobutyl methanol 149.53
    2-phenylethanol 481.19
    styrene 352.46
    dioctyl adipate 264.1
    dimethyl sulfate 503.44
    ethyl butyrate 397.76
    methyl lactate 347.58
    butyl lactate 261.3
    diethyl carbonate 273.25
    propanediol butyl ether 398.85
    triethyl orthoformate 271.93
    p-tert-butyltoluene 136.76
    methyl 4-tert-butylbenzoate 348.73
    morpholine 2400.79
    tert-butylamine 641.44
    n-dodecanol 119.34
    dimethoxymethane 1169.09
    ethylene carbonate 724.25
    cyrene 385.78
    2-ethoxyethyl acetate 474.98
    2-ethylhexyl acetate 438.32
    1,2,4-trichlorobenzene 642.92
    4-methylpyridine 1225.26
    dibutyl ether 368.84
    2,6-dimethyl-4-heptanol 149.53
    DEF 985.17
    dimethyl isosorbide 658.71
    tetrachloroethylene 987.92
    eugenol 315.55
    triacetin 443.15
    span 80 369.66
    1,4-butanediol 246.01
    1,1-dichloroethane 1339.45
    2-methyl-1-pentanol 480.08
    methyl formate 645.35
    2-methyl-1-butanol 712.35
    n-decane 42.02
    butyronitrile 943.45
    3,7-dimethyl-1-octanol 252.74
    1-chlorooctane 210.06
    1-chlorotetradecane 72.25
    n-nonane 44.01
    undecane 28.71
    tert-butylcyclohexane 85.97
    cyclooctane 68.25
    cyclopentanol 832.9
    tetrahydropyran 2212.03
    tert-amyl methyl ether 625.61
    2,5,8-trioxanonane 647.44
    1-hexene 558.81
    2-isopropoxyethanol 436.35
    2,2,2-trifluoroethanol 295.85
    methyl butyrate 577.18

    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