Pentyl phenoxyacetate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    74525-52-3

    Molecular formula
    C13H18O3

    SMILES
    CCCCCOC(=O)COC1=CC=CC=C1

    Safety labels

  • Odor profile

    Fragrance
    Fruity 61.65%
    Sweet 58.69%
    Floral 54.39%
    Herbal 51.71%
    Green 47.22%
    Balsamic 45.74%
    Honey 39.11%
    Rose 38.94%
    Winey 28.81%
    Caramellic 27.74%

     

    Flavor
    Fruity 61.02%
    Sweet 55.37%
    Balsam 48.62%
    Green 47.89%
    Waxy 40.96%
    Floral 39.41%
    Rose 39.03%
    Honey 33.14%
    Wine 31.23%
    Chocolate 31.08%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    6.81 (neutral)

    Molecular weight
    222.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    291°C

    Flash point

    • 134.54 ˚C est.

  • Synonyms

    • Pentyl phenoxyacetate
    • 74525-52-3
    • EINECS 277-909-6
    • pentyl 2-phenoxyacetate
    • Amyl phenoxyacetate
    • NB6GLW3KRF
    • N-AMYL PHENOXYACETATE
    • SCHEMBL8673101
    • CHEMBL2259653
    • DTXSID30996048
    • ALEKBMQVKFWMOR-UHFFFAOYSA-N
    • Acetic acid, 2-phenoxy-, pentyl ester
    • NS00059182
    • 74525-52-3

  • Applications

    Pentyl phenoxyacetate (CAS 74525-52-3) is primarily used as a fragrance ingredient in perfumery and cosmetics, providing mild floral-to-woody notes and acting as an odorant. It is commonly evaluated as a fixative to help extend scent longevity in perfume formulations and scented personal care products. In household products, it serves as a fragrance additive in air fresheners, detergents and cleaning formulations to impart a pleasant aroma. In industrial manufacturing, it may be used as an aroma chemical intermediate for the synthesis of more complex fragrance components. It may also find use as a fragrance additive in coatings, inks and adhesives to impart aroma, subject to formulation constraints and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2026.67
    methanol 3710.87
    isopropanol 740.69
    water 0.62
    ethyl acetate 3422.61
    n-propanol 1133.19
    acetone 3991.46
    n-butanol 921.15
    acetonitrile 3226.98
    DMF 3466.51
    toluene 861.36
    isobutanol 635.6
    1,4-dioxane 1917.51
    methyl acetate 2247.85
    THF 1959.06
    2-butanone 2240.97
    n-pentanol 498.32
    sec-butanol 623.85
    n-hexane 41.32
    ethylene glycol 370.72
    NMP 1969.3
    cyclohexane 146.15
    DMSO 7018.14
    n-butyl acetate 1064.63
    n-octanol 124.89
    chloroform 4563.09
    n-propyl acetate 1086.59
    acetic acid 2289.77
    dichloromethane 6701.74
    cyclohexanone 2438.38
    propylene glycol 332.63
    isopropyl acetate 1189.43
    DMAc 2335.39
    2-ethoxyethanol 1163.86
    isopentanol 691.68
    n-heptane 23.18
    ethyl formate 1156.37
    1,2-dichloroethane 5931.14
    n-hexanol 409.65
    2-methoxyethanol 2453.06
    isobutyl acetate 458.46
    tetrachloromethane 333.24
    n-pentyl acetate 406.67
    transcutol 4429.79
    n-heptanol 128.92
    ethylbenzene 300.85
    MIBK 702.51
    2-propoxyethanol 950.17
    tert-butanol 891.25
    MTBE 942.6
    2-butoxyethanol 390.47
    propionic acid 1230.05
    o-xylene 388.12
    formic acid 888.47
    diethyl ether 1768.13
    m-xylene 389.2
    p-xylene 353.01
    chlorobenzene 1457.29
    dimethyl carbonate 770.63
    n-octane 9.94
    formamide 2250.26
    cyclopentanone 2499.2
    2-pentanone 1785.56
    anisole 820.58
    cyclopentyl methyl ether 1066.85
    gamma-butyrolactone 2779.55
    1-methoxy-2-propanol 1245.9
    pyridine 2848.15
    3-pentanone 1384.89
    furfural 2279.85
    n-dodecane 9.37
    diethylene glycol 871.4
    diisopropyl ether 251.22
    tert-amyl alcohol 689.41
    acetylacetone 2309.01
    n-hexadecane 11.05
    acetophenone 763.11
    methyl propionate 2023.73
    isopentyl acetate 765.01
    trichloroethylene 8026.03
    n-nonanol 111.57
    cyclohexanol 775.91
    benzyl alcohol 617.55
    2-ethylhexanol 233.69
    isooctanol 112.3
    dipropyl ether 342.78
    1,2-dichlorobenzene 1160.68
    ethyl lactate 339.4
    propylene carbonate 1259.39
    n-methylformamide 2043.7
    2-pentanol 467.93
    n-pentane 45.35
    1-propoxy-2-propanol 560.37
    1-methoxy-2-propyl acetate 865.91
    2-(2-methoxypropoxy) propanol 488.81
    mesitylene 201.12
    ε-caprolactone 1829.8
    p-cymene 135.5
    epichlorohydrin 4202.64
    1,1,1-trichloroethane 2538.66
    2-aminoethanol 738.21
    morpholine-4-carbaldehyde 1759.55
    sulfolane 3137.49
    2,2,4-trimethylpentane 29.53
    2-methyltetrahydrofuran 1411.48
    n-hexyl acetate 520.21
    isooctane 21.15
    2-(2-butoxyethoxy)ethanol 747.05
    sec-butyl acetate 586.1
    tert-butyl acetate 925.57
    decalin 59.21
    glycerin 526.69
    diglyme 1700.5
    acrylic acid 1116.16
    isopropyl myristate 159.82
    n-butyric acid 1806.88
    acetyl acetate 1646.94
    di(2-ethylhexyl) phthalate 164.45
    ethyl propionate 974.9
    nitromethane 5890.82
    1,2-diethoxyethane 1268.5
    benzonitrile 909.75
    trioctyl phosphate 105.75
    1-bromopropane 2026.01
    gamma-valerolactone 2583.57
    n-decanol 79.89
    triethyl phosphate 253.94
    4-methyl-2-pentanol 219.35
    propionitrile 1514.84
    vinylene carbonate 1211.55
    1,1,2-trichlorotrifluoroethane 2051.35
    DMS 725.68
    cumene 156.66
    2-octanol 84.02
    2-hexanone 854.8
    octyl acetate 200.4
    limonene 218.56
    1,2-dimethoxyethane 1795.94
    ethyl orthosilicate 230.59
    tributyl phosphate 183.03
    diacetone alcohol 856.29
    N,N-dimethylaniline 382.76
    acrylonitrile 2309.81
    aniline 1054.11
    1,3-propanediol 1024.95
    bromobenzene 1621.02
    dibromomethane 3959.23
    1,1,2,2-tetrachloroethane 5732.4
    2-methyl-cyclohexyl acetate 370.71
    tetrabutyl urea 235.17
    diisobutyl methanol 136.57
    2-phenylethanol 479.88
    styrene 519.15
    dioctyl adipate 292.25
    dimethyl sulfate 1092.7
    ethyl butyrate 642.52
    methyl lactate 615.88
    butyl lactate 318.32
    diethyl carbonate 452.3
    propanediol butyl ether 389.97
    triethyl orthoformate 344.42
    p-tert-butyltoluene 117.2
    methyl 4-tert-butylbenzoate 360.16
    morpholine 2556.03
    tert-butylamine 456.45
    n-dodecanol 61.26
    dimethoxymethane 1955.57
    ethylene carbonate 1073.86
    cyrene 401.15
    2-ethoxyethyl acetate 789.75
    2-ethylhexyl acetate 558.4
    1,2,4-trichlorobenzene 1267.15
    4-methylpyridine 2171.22
    dibutyl ether 304.99
    2,6-dimethyl-4-heptanol 136.57
    DEF 2160.39
    dimethyl isosorbide 785.95
    tetrachloroethylene 3140.0
    eugenol 388.78
    triacetin 575.27
    span 80 339.35
    1,4-butanediol 317.5
    1,1-dichloroethane 3609.5
    2-methyl-1-pentanol 465.24
    methyl formate 1429.78
    2-methyl-1-butanol 680.33
    n-decane 15.16
    butyronitrile 1286.88
    3,7-dimethyl-1-octanol 178.37
    1-chlorooctane 122.55
    1-chlorotetradecane 41.3
    n-nonane 14.18
    undecane 11.31
    tert-butylcyclohexane 40.47
    cyclooctane 32.06
    cyclopentanol 638.08
    tetrahydropyran 1928.42
    tert-amyl methyl ether 613.88
    2,5,8-trioxanonane 1030.85
    1-hexene 272.12
    2-isopropoxyethanol 626.97
    2,2,2-trifluoroethanol 634.17
    methyl butyrate 1370.24

    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