3-Phenylpropyl benzoate

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  • Identifiers

    CAS number
    60045-26-3

    Molecular formula
    C16H16O2

    SMILES
    C1=CC=C(C=C1)CCCOC(=O)C2=CC=CC=C2

  • Odor profile

    Balsamic 84.59%
    Sweet 68.13%
    Floral 58.58%
    Green 56.7%
    Herbal 52.14%
    Fruity 50.84%
    Rose 50.73%
    Spicy 49.73%
    Honey 42.78%
    Cinnamon 39.29%

    Scent© AI

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    6.52 (neutral)

    Molecular weight
    240.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    348°C

    Flash point est.
    164.31 ˚C

  • Synonyms

    • 3-phenylpropyl benzoate
    • 60045-26-3
    • Benzenepropanol, 1-benzoate
    • Benzenepropanol, benzoate
    • 3-Phenyl-1-propanol benzoate
    • UNII-0NAP1ZH91D
    • 1-Propanol, 3-phenyl-, benzoate
    • 0NAP1ZH91D
    • EC 611-930-7
    • NSC 404465
    • NSC-404465
    • 3PHENYLPROPYLBENZOATE
    • DTXSID60323626
    • phenylpropylbenzoate
    • NSC404465
    • 3-phenyl propyl benzoate
    • DTXCID40274743
    • benzoic acid 3-phenyl-propyl ester
    • AKOS003495948
    • PD159515
    • DB-315587
    • NS00009173
    • Q27236997
    • Z54190085
    • 611-930-7

  • Applications

    3-Phenylpropyl benzoate (hydrocinnamyl benzoate) is a high‑boiling aromatic ester used mainly as a fragrance ingredient and fixative: it provides smooth sweet, warm balsamic, slightly floral and woody facets, rounding, extending and softening floral–oriental–woody accords and improving longevity in fine fragrances, air care, candles, detergents and personal care; thanks to its low volatility and good solvency toward aroma oils, resins, musks and woody materials, it functions as a carrier/modifier that enhances diffusion while maintaining substantivity and can help dissolve poorly soluble ingredients; beyond perfumery it is used as an organic intermediate and as a model substrate for enzyme‑catalyzed hydrolysis/transesterification and ester stability studies, useful in fragrance formulation and synthetic chemistry; in practice it is dosed from trace to moderate levels (about 0.1–3% depending on matrix and profile), is compatible with ethanol and oils, but strong acids/bases should be avoided to limit hydrolysis, and it should be stored tightly closed in a cool, dry place; usage should follow IFRA guidance, workplace safety and applicable regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 241.2
    methanol 348.2
    isopropanol 115.01
    water 0.19
    ethyl acetate 597.56
    n-propanol 181.17
    acetone 688.3
    n-butanol 168.27
    acetonitrile 600.72
    DMF 958.87
    toluene 302.87
    isobutanol 125.72
    1,4-dioxane 688.51
    methyl acetate 510.37
    THF 794.08
    2-butanone 601.29
    n-pentanol 141.22
    sec-butanol 128.81
    n-hexane 16.78
    ethylene glycol 29.68
    NMP 464.81
    cyclohexane 30.73
    DMSO 883.04
    n-butyl acetate 376.89
    n-octanol 80.23
    chloroform 1939.81
    n-propyl acetate 406.42
    acetic acid 309.08
    dichloromethane 2591.99
    cyclohexanone 812.7
    propylene glycol 48.85
    isopropyl acetate 289.75
    DMAc 820.93
    2-ethoxyethanol 269.34
    isopentanol 152.02
    n-heptane 14.12
    ethyl formate 338.73
    1,2-dichloroethane 1911.56
    n-hexanol 125.57
    2-methoxyethanol 369.6
    isobutyl acetate 237.71
    tetrachloromethane 88.16
    n-pentyl acetate 192.41
    transcutol 1497.54
    n-heptanol 75.28
    ethylbenzene 166.41
    MIBK 268.06
    2-propoxyethanol 253.96
    tert-butanol 140.1
    MTBE 214.16
    2-butoxyethanol 182.4
    propionic acid 239.77
    o-xylene 148.62
    formic acid 84.17
    diethyl ether 423.95
    m-xylene 152.57
    p-xylene 170.84
    chlorobenzene 564.21
    dimethyl carbonate 242.19
    n-octane 8.85
    formamide 279.46
    cyclopentanone 826.38
    2-pentanone 486.29
    anisole 406.33
    cyclopentyl methyl ether 305.17
    gamma-butyrolactone 906.17
    1-methoxy-2-propanol 244.7
    pyridine 973.44
    3-pentanone 387.46
    furfural 790.9
    n-dodecane 8.64
    diethylene glycol 152.6
    diisopropyl ether 82.46
    tert-amyl alcohol 139.17
    acetylacetone 527.42
    n-hexadecane 10.27
    acetophenone 370.61
    methyl propionate 425.87
    isopentyl acetate 293.25
    trichloroethylene 2845.19
    n-nonanol 76.41
    cyclohexanol 164.09
    benzyl alcohol 230.62
    2-ethylhexanol 93.54
    isooctanol 72.69
    dipropyl ether 175.52
    1,2-dichlorobenzene 490.73
    ethyl lactate 130.6
    propylene carbonate 467.02
    n-methylformamide 451.55
    2-pentanol 108.72
    n-pentane 10.13
    1-propoxy-2-propanol 189.43
    1-methoxy-2-propyl acetate 298.4
    2-(2-methoxypropoxy) propanol 196.66
    mesitylene 87.1
    ε-caprolactone 575.02
    p-cymene 71.4
    epichlorohydrin 1489.9
    1,1,1-trichloroethane 751.14
    2-aminoethanol 85.3
    morpholine-4-carbaldehyde 529.8
    sulfolane 809.36
    2,2,4-trimethylpentane 10.87
    2-methyltetrahydrofuran 439.05
    n-hexyl acetate 259.9
    isooctane 9.25
    2-(2-butoxyethoxy)ethanol 311.06
    sec-butyl acetate 243.07
    tert-butyl acetate 263.44
    decalin 26.04
    glycerin 69.45
    diglyme 761.22
    acrylic acid 215.59
    isopropyl myristate 93.99
    n-butyric acid 373.89
    acetyl acetate 332.87
    di(2-ethylhexyl) phthalate 79.26
    ethyl propionate 330.19
    nitromethane 962.17
    1,2-diethoxyethane 480.35
    benzonitrile 394.07
    trioctyl phosphate 53.46
    1-bromopropane 617.58
    gamma-valerolactone 903.72
    n-decanol 56.53
    triethyl phosphate 114.83
    4-methyl-2-pentanol 74.18
    propionitrile 446.67
    vinylene carbonate 500.93
    1,1,2-trichlorotrifluoroethane 549.57
    DMS 267.67
    cumene 91.27
    2-octanol 55.51
    2-hexanone 367.38
    octyl acetate 120.38
    limonene 92.72
    1,2-dimethoxyethane 626.05
    ethyl orthosilicate 106.05
    tributyl phosphate 78.49
    diacetone alcohol 258.8
    N,N-dimethylaniline 191.42
    acrylonitrile 650.51
    aniline 287.64
    1,3-propanediol 137.14
    bromobenzene 630.34
    dibromomethane 1354.94
    1,1,2,2-tetrachloroethane 1982.86
    2-methyl-cyclohexyl acetate 178.53
    tetrabutyl urea 108.86
    diisobutyl methanol 64.15
    2-phenylethanol 186.0
    styrene 253.3
    dioctyl adipate 148.99
    dimethyl sulfate 335.36
    ethyl butyrate 290.61
    methyl lactate 147.86
    butyl lactate 145.45
    diethyl carbonate 200.68
    propanediol butyl ether 148.03
    triethyl orthoformate 169.84
    p-tert-butyltoluene 61.82
    methyl 4-tert-butylbenzoate 211.09
    morpholine 663.6
    tert-butylamine 84.38
    n-dodecanol 43.37
    dimethoxymethane 588.68
    ethylene carbonate 392.16
    cyrene 183.29
    2-ethoxyethyl acetate 307.76
    2-ethylhexyl acetate 219.33
    1,2,4-trichlorobenzene 498.68
    4-methylpyridine 743.74
    dibutyl ether 179.64
    2,6-dimethyl-4-heptanol 64.15
    DEF 571.03
    dimethyl isosorbide 348.81
    tetrachloroethylene 990.99
    eugenol 207.85
    triacetin 271.12
    span 80 145.67
    1,4-butanediol 63.5
    1,1-dichloroethane 1153.6
    2-methyl-1-pentanol 140.81
    methyl formate 357.67
    2-methyl-1-butanol 138.71
    n-decane 14.19
    butyronitrile 400.66
    3,7-dimethyl-1-octanol 84.86
    1-chlorooctane 85.27
    1-chlorotetradecane 31.62
    n-nonane 12.93
    undecane 10.67
    tert-butylcyclohexane 22.16
    cyclooctane 9.85
    cyclopentanol 145.28
    tetrahydropyran 600.65
    tert-amyl methyl ether 166.36
    2,5,8-trioxanonane 416.05
    1-hexene 115.32
    2-isopropoxyethanol 190.2
    2,2,2-trifluoroethanol 96.75
    methyl butyrate 486.09

    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

Botanical

Name CAS Botanical Proportion
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.9%