Octyl phenylacetate

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  • Identifiers

    CAS number
    122-45-2

    Molecular formula
    C16H24O2

    SMILES
    CCCCCCCCOC(=O)CC1=CC=CC=C1

  • Odor profile

    Fragrance
    Floral 76.1%
    Sweet 68.76%
    Rose 68.2%
    Waxy 62.61%
    Honey 58.66%
    Fatty 53.2%
    Green 52.52%
    Fruity 49.25%
    Oily 45.86%
    Herbal 45.48%

     

    Flavor
    Waxy 74.76%
    Green 72.22%
    Sweet 69.32%
    Fruity 61.78%
    Rose 50.62%
    Floral 47.1%
    Honey 40.54%
    Oily 36.17%
    Wine 34.21%
    Balsam 34.03%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    7.03 (neutral)

    Molecular weight
    248.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    320°C

    Flash point

    • 146.18 ˚C est.

    Solubility expt.

    • Insoluble in water; soluble in oils
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • Octyl phenylacetate
    • octyl 2-phenylacetate
    • 122-45-2
    • BENZENEACETIC ACID, OCTYL ESTER
    • Octyl alpha-toluate
    • Octyl benzeneacetate
    • octyl phenyl acetate
    • UNII-TDN0NV3W9J
    • Acetic acid, phenyl-, octyl ester
    • FEMA No. 2812
    • TDN0NV3W9J
    • EINECS 204-545-7
    • AI3-24153
    • DTXSID4059542
    • N-OCTYL PHENYLACETATE [FHFI]
    • octyl phe-nylacetate
    • Octyl phenylacetate #
    • N-OCTYL PHENYLACETATE
    • SCHEMBL3506940
    • DTXCID3033729
    • FEMA 2812
    • CHEBI:171692
    • LMFA07010982
    • NS00021574
    • Q27289915
    • 204-545-7

  • Applications

    Octyl phenylacetate (CAS 122-45-2) is primarily used as a fragrance ingredient in perfumery and cosmetics, and acts as a fixative to extend fragrance longevity. It is also employed in personal care products to impart a consistent scent. In household products, it serves as a fragrance additive for cleaners and air fresheners. In coatings, and inks, it can be used as an additional fragrance component. It may also be considered for use in polymer/plastic formulations as a fragrance additive or scent modifier.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4451.11
    methanol 5316.72
    isopropanol 2619.07
    water 0.12
    ethyl acetate 4049.74
    n-propanol 3088.06
    acetone 7075.45
    n-butanol 2278.52
    acetonitrile 4335.48
    DMF 5521.21
    toluene 1041.13
    isobutanol 1882.21
    1,4-dioxane 3522.49
    methyl acetate 2729.17
    THF 4184.28
    2-butanone 3804.48
    n-pentanol 1360.24
    sec-butanol 1837.62
    n-hexane 168.8
    ethylene glycol 229.08
    NMP 2694.1
    cyclohexane 378.07
    DMSO 6943.9
    n-butyl acetate 2050.24
    n-octanol 314.42
    chloroform 6184.71
    n-propyl acetate 2183.27
    acetic acid 1892.29
    dichloromethane 7588.86
    cyclohexanone 4634.76
    propylene glycol 485.89
    isopropyl acetate 2036.4
    DMAc 3177.48
    2-ethoxyethanol 1605.67
    isopentanol 1593.53
    n-heptane 70.99
    ethyl formate 1667.7
    1,2-dichloroethane 6428.36
    n-hexanol 1021.82
    2-methoxyethanol 2849.85
    isobutyl acetate 1088.34
    tetrachloromethane 586.06
    n-pentyl acetate 985.99
    transcutol 5278.94
    n-heptanol 344.11
    ethylbenzene 519.31
    MIBK 1465.35
    2-propoxyethanol 1587.59
    tert-butanol 2040.49
    MTBE 2368.7
    2-butoxyethanol 809.79
    propionic acid 1649.04
    o-xylene 520.41
    formic acid 394.62
    diethyl ether 3615.09
    m-xylene 554.33
    p-xylene 635.36
    chlorobenzene 1724.34
    dimethyl carbonate 730.01
    n-octane 30.04
    formamide 967.31
    cyclopentanone 4082.01
    2-pentanone 3401.87
    anisole 1130.62
    cyclopentyl methyl ether 2053.09
    gamma-butyrolactone 3646.4
    1-methoxy-2-propanol 2008.53
    pyridine 3714.42
    3-pentanone 2075.97
    furfural 2401.68
    n-dodecane 23.4
    diethylene glycol 893.25
    diisopropyl ether 602.91
    tert-amyl alcohol 1403.21
    acetylacetone 2786.62
    n-hexadecane 28.83
    acetophenone 1057.83
    methyl propionate 2488.48
    isopentyl acetate 1593.48
    trichloroethylene 7777.17
    n-nonanol 278.68
    cyclohexanol 1746.86
    benzyl alcohol 829.06
    2-ethylhexanol 566.87
    isooctanol 305.91
    dipropyl ether 1041.94
    1,2-dichlorobenzene 1451.91
    ethyl lactate 540.08
    propylene carbonate 1817.45
    n-methylformamide 2494.46
    2-pentanol 1244.1
    n-pentane 113.21
    1-propoxy-2-propanol 1154.74
    1-methoxy-2-propyl acetate 1427.4
    2-(2-methoxypropoxy) propanol 687.75
    mesitylene 334.38
    ε-caprolactone 2899.93
    p-cymene 227.42
    epichlorohydrin 5063.58
    1,1,1-trichloroethane 3568.29
    2-aminoethanol 828.98
    morpholine-4-carbaldehyde 2349.86
    sulfolane 3968.98
    2,2,4-trimethylpentane 62.98
    2-methyltetrahydrofuran 3214.63
    n-hexyl acetate 1118.39
    isooctane 48.73
    2-(2-butoxyethoxy)ethanol 1062.85
    sec-butyl acetate 1179.07
    tert-butyl acetate 1610.26
    decalin 135.0
    glycerin 475.55
    diglyme 2371.87
    acrylic acid 1053.85
    isopropyl myristate 351.84
    n-butyric acid 2931.18
    acetyl acetate 1621.09
    di(2-ethylhexyl) phthalate 294.95
    ethyl propionate 1687.96
    nitromethane 4563.11
    1,2-diethoxyethane 2075.04
    benzonitrile 1263.49
    trioctyl phosphate 205.83
    1-bromopropane 3148.38
    gamma-valerolactone 4365.17
    n-decanol 189.34
    triethyl phosphate 399.7
    4-methyl-2-pentanol 509.6
    propionitrile 2414.45
    vinylene carbonate 1601.0
    1,1,2-trichlorotrifluoroethane 2197.05
    DMS 959.18
    cumene 296.24
    2-octanol 235.98
    2-hexanone 2037.08
    octyl acetate 437.75
    limonene 421.54
    1,2-dimethoxyethane 2998.5
    ethyl orthosilicate 381.32
    tributyl phosphate 312.01
    diacetone alcohol 1348.98
    N,N-dimethylaniline 593.23
    acrylonitrile 2526.07
    aniline 1297.65
    1,3-propanediol 1346.32
    bromobenzene 1886.44
    dibromomethane 4649.17
    1,1,2,2-tetrachloroethane 6266.88
    2-methyl-cyclohexyl acetate 707.82
    tetrabutyl urea 422.36
    diisobutyl methanol 292.66
    2-phenylethanol 695.9
    styrene 811.47
    dioctyl adipate 535.43
    dimethyl sulfate 1062.94
    ethyl butyrate 1286.83
    methyl lactate 703.4
    butyl lactate 664.36
    diethyl carbonate 736.61
    propanediol butyl ether 638.03
    triethyl orthoformate 667.53
    p-tert-butyltoluene 206.48
    methyl 4-tert-butylbenzoate 637.1
    morpholine 4981.8
    tert-butylamine 1135.37
    n-dodecanol 139.66
    dimethoxymethane 2637.01
    ethylene carbonate 1549.38
    cyrene 562.46
    2-ethoxyethyl acetate 1331.68
    2-ethylhexyl acetate 1151.63
    1,2,4-trichlorobenzene 1579.86
    4-methylpyridine 3118.47
    dibutyl ether 857.66
    2,6-dimethyl-4-heptanol 292.66
    DEF 3204.43
    dimethyl isosorbide 1121.48
    tetrachloroethylene 3600.7
    eugenol 610.91
    triacetin 959.42
    span 80 573.42
    1,4-butanediol 454.64
    1,1-dichloroethane 4990.61
    2-methyl-1-pentanol 974.48
    methyl formate 1432.07
    2-methyl-1-butanol 1504.84
    n-decane 44.23
    butyronitrile 2514.83
    3,7-dimethyl-1-octanol 367.15
    1-chlorooctane 303.16
    1-chlorotetradecane 97.64
    n-nonane 42.99
    undecane 30.46
    tert-butylcyclohexane 103.16
    cyclooctane 67.89
    cyclopentanol 1580.32
    tetrahydropyran 4926.65
    tert-amyl methyl ether 1237.03
    2,5,8-trioxanonane 1324.27
    1-hexene 1050.59
    2-isopropoxyethanol 1067.3
    2,2,2-trifluoroethanol 468.55
    methyl butyrate 2491.32

    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