Propyl 4-tert-butylphenylacetate

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  • Identifiers

    CAS number
    92729-55-0

    Molecular formula
    C15H22O2

    SMILES
    CCCOC(=O)CC1=CC=C(C=C1)CC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 76.66%
    Floral 73.11%
    Honey 64.37%
    Fruity 61.8%
    Rose 58.09%
    Balsamic 51.2%
    Green 45.34%
    Waxy 42.1%
    Powdery 37.98%
    Chocolate 34.78%

     

    Flavor
    Sweet 76.35%
    Floral 61.68%
    Rose 54.83%
    Honey 54.2%
    Green 45.34%
    Balsam 42.77%
    Bitter 42.64%
    Fruity 42.59%
    Chocolate 38.3%
    Waxy 38.08%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    8.37 (weak base)

    Molecular weight
    234.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    293°C

    Flash point

    • 137.77 ˚C est.

  • Synonyms

    • Propyl 4-tert-butylphenylacetate
    • FEMA No. 4619
    • UNII-C6F47Z8VR1
    • C6F47Z8VR1
    • Acetic acid, (p-tert-butylphenyl)-, propyl ester
    • Benzeneacetic acid, 4-(1,1-dimethylethyl)-, propyl ester
    • 92729-55-0
    • DTXSID30239124
    • RefChem:176473
    • DTXCID50161615
    • Propyl [4-(2-methylpropyl)phenyl]acetate
    • Q27275258
    • 92729-55-0

  • Applications

    Propyl 4-tert-butylphenylacetate (CAS 92729-55-0) is primarily used as an aroma ingredient in perfumery and cosmetics, acting as a fixative to stabilize and extend fragrance notes; it may be employed in personal care formulations (creams, lotions, shower gels) and in household products such as air fresheners and cleaners to impart a distinctive scent. It also commonly serves as an intermediate in the synthesis of other aroma compounds and can act as a processing aid or intermediate in fragrance manufacturing. In coatings and inks, it may be used as a fragrance additive to provide a scented component in packaged products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1537.7
    methanol 1623.45
    isopropanol 1149.62
    water 0.12
    ethyl acetate 1434.6
    n-propanol 1192.47
    acetone 2227.15
    n-butanol 1148.14
    acetonitrile 1179.6
    DMF 2200.52
    toluene 501.7
    isobutanol 870.07
    1,4-dioxane 1707.77
    methyl acetate 1084.12
    THF 2040.22
    2-butanone 1454.4
    n-pentanol 828.19
    sec-butanol 851.7
    n-hexane 174.02
    ethylene glycol 145.44
    NMP 1141.54
    cyclohexane 141.55
    DMSO 1652.49
    n-butyl acetate 1026.62
    n-octanol 254.91
    chloroform 2997.78
    n-propyl acetate 765.45
    acetic acid 754.43
    dichloromethane 2567.94
    cyclohexanone 1667.49
    propylene glycol 319.2
    isopropyl acetate 965.35
    DMAc 1702.49
    2-ethoxyethanol 892.86
    isopentanol 1034.27
    n-heptane 32.68
    ethyl formate 609.94
    1,2-dichloroethane 2252.57
    n-hexanol 810.86
    2-methoxyethanol 1364.12
    isobutyl acetate 567.8
    tetrachloromethane 263.06
    n-pentyl acetate 429.63
    transcutol 2831.1
    n-heptanol 246.76
    ethylbenzene 303.37
    MIBK 820.21
    2-propoxyethanol 1215.65
    tert-butanol 1197.24
    MTBE 1468.18
    2-butoxyethanol 494.86
    propionic acid 621.41
    o-xylene 290.91
    formic acid 152.9
    diethyl ether 1570.49
    m-xylene 356.59
    p-xylene 372.61
    chlorobenzene 783.72
    dimethyl carbonate 354.81
    n-octane 19.14
    formamide 263.21
    cyclopentanone 1554.07
    2-pentanone 1430.86
    anisole 685.64
    cyclopentyl methyl ether 1033.68
    gamma-butyrolactone 1270.16
    1-methoxy-2-propanol 1186.12
    pyridine 1069.84
    3-pentanone 905.07
    furfural 1038.17
    n-dodecane 16.87
    diethylene glycol 689.82
    diisopropyl ether 386.59
    tert-amyl alcohol 874.31
    acetylacetone 1234.68
    n-hexadecane 20.15
    acetophenone 549.02
    methyl propionate 925.98
    isopentyl acetate 905.08
    trichloroethylene 3119.17
    n-nonanol 218.62
    cyclohexanol 766.43
    benzyl alcohol 529.79
    2-ethylhexanol 409.04
    isooctanol 220.67
    dipropyl ether 461.11
    1,2-dichlorobenzene 683.72
    ethyl lactate 305.76
    propylene carbonate 804.36
    n-methylformamide 698.87
    2-pentanol 756.34
    n-pentane 81.54
    1-propoxy-2-propanol 823.48
    1-methoxy-2-propyl acetate 846.9
    2-(2-methoxypropoxy) propanol 493.37
    mesitylene 221.53
    ε-caprolactone 1204.25
    p-cymene 148.42
    epichlorohydrin 2053.98
    1,1,1-trichloroethane 1528.94
    2-aminoethanol 415.5
    morpholine-4-carbaldehyde 1290.2
    sulfolane 1363.92
    2,2,4-trimethylpentane 51.4
    2-methyltetrahydrofuran 1566.18
    n-hexyl acetate 648.0
    isooctane 46.52
    2-(2-butoxyethoxy)ethanol 763.32
    sec-butyl acetate 580.85
    tert-butyl acetate 903.82
    decalin 86.3
    glycerin 319.95
    diglyme 1289.24
    acrylic acid 449.26
    isopropyl myristate 222.39
    n-butyric acid 1110.74
    acetyl acetate 684.24
    di(2-ethylhexyl) phthalate 207.85
    ethyl propionate 614.53
    nitromethane 1260.76
    1,2-diethoxyethane 984.45
    benzonitrile 628.09
    trioctyl phosphate 140.76
    1-bromopropane 1238.76
    gamma-valerolactone 1721.17
    n-decanol 158.14
    triethyl phosphate 212.37
    4-methyl-2-pentanol 407.54
    propionitrile 872.21
    vinylene carbonate 698.91
    1,1,2-trichlorotrifluoroethane 1102.5
    DMS 514.04
    cumene 210.93
    2-octanol 171.27
    2-hexanone 915.21
    octyl acetate 279.98
    limonene 233.88
    1,2-dimethoxyethane 1587.26
    ethyl orthosilicate 214.66
    tributyl phosphate 206.27
    diacetone alcohol 842.43
    N,N-dimethylaniline 403.89
    acrylonitrile 868.98
    aniline 627.33
    1,3-propanediol 708.42
    bromobenzene 842.48
    dibromomethane 1775.09
    1,1,2,2-tetrachloroethane 2850.03
    2-methyl-cyclohexyl acetate 401.2
    tetrabutyl urea 247.24
    diisobutyl methanol 201.56
    2-phenylethanol 517.02
    styrene 414.46
    dioctyl adipate 312.61
    dimethyl sulfate 468.09
    ethyl butyrate 508.91
    methyl lactate 376.71
    butyl lactate 352.83
    diethyl carbonate 326.71
    propanediol butyl ether 489.31
    triethyl orthoformate 329.99
    p-tert-butyltoluene 147.79
    methyl 4-tert-butylbenzoate 380.42
    morpholine 2224.02
    tert-butylamine 709.55
    n-dodecanol 119.41
    dimethoxymethane 1262.78
    ethylene carbonate 646.78
    cyrene 395.21
    2-ethoxyethyl acetate 629.01
    2-ethylhexyl acetate 653.49
    1,2,4-trichlorobenzene 776.76
    4-methylpyridine 1229.2
    dibutyl ether 436.5
    2,6-dimethyl-4-heptanol 201.56
    DEF 1301.89
    dimethyl isosorbide 707.81
    tetrachloroethylene 1472.14
    eugenol 406.18
    triacetin 492.34
    span 80 398.11
    1,4-butanediol 319.06
    1,1-dichloroethane 2102.38
    2-methyl-1-pentanol 723.34
    methyl formate 482.18
    2-methyl-1-butanol 882.72
    n-decane 29.82
    butyronitrile 1063.6
    3,7-dimethyl-1-octanol 308.02
    1-chlorooctane 205.16
    1-chlorotetradecane 71.89
    n-nonane 29.07
    undecane 21.5
    tert-butylcyclohexane 85.55
    cyclooctane 38.23
    cyclopentanol 661.65
    tetrahydropyran 1793.61
    tert-amyl methyl ether 845.65
    2,5,8-trioxanonane 783.82
    1-hexene 735.37
    2-isopropoxyethanol 724.88
    2,2,2-trifluoroethanol 211.04
    methyl butyrate 846.79

    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