Benzyl phenylacetate

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  • Identifiers

    CAS number
    102-16-9

    Molecular formula
    C15H14O2

    SMILES
    C1=CC=C(C=C1)CC(=O)OCC2=CC=CC=C2

  • Odor profile

    Honey 82.65%
    Floral 82.55%
    Rose 80.64%
    Sweet 77.58%
    Balsamic 71.22%
    Hyacinth 44.37%
    Spicy 43.53%
    Cocoa 42.5%
    Powdery 42.13%
    Cinnamon 37.93%

    Scent© AI

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    6.81 (neutral)

    Molecular weight
    226.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 318.00 to 320.00 °C. @ 760.00 mm Hg

    Flash point est.
    160.89 ˚C

    Flash point expt.

    • greater than 200 °F (NTP, 1992)

    Solubility expt.

    • less than 1 mg/mL at 68 °F (NTP, 1992)
    • insoluble in water; soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • Benzyl phenylacetate
    • 102-16-9
    • benzyl 2-phenylacetate
    • BENZENEACETIC ACID, PHENYLMETHYL ESTER
    • Benzyl benzeneacetate
    • Benzyl alpha-toluate
    • Phenylmethyl benzeneacetate
    • Acetic acid, phenyl-, benzyl ester
    • FEMA No. 2149
    • A7LDA0CIWF
    • EINECS 203-008-4
    • Phenylacetic Acid Benzyl Ester
    • Phenylacetic acid, benzyl ester
    • DTXSID6024597
    • Benzylphenylacetate fcc
    • AI3-02943
    • DTXCID904597
    • PHENYLMETHYL PHENYLACETATE
    • BENZYL PHENYLACETATE [FCC]
    • BENZYL PHENYLACETATE [FHFI]
    • PHENYL METHYL BENZENE ACETATE
    • BENZYLPHENYL ACETATE
    • UNII-A7LDA0CIWF
    • Acetic acid-benzylphenyl ester
    • MFCD00022045
    • Benzyl .alpha.-toluate
    • MLS002454388
    • SCHEMBL361779
    • phenyl-acetic acid benzyl ester
    • SCHEMBL9409655
    • CHEMBL1303827
    • FEMA 2149
    • Phenylmethyl benzeneacetate, 9CI
    • CHEBI:174169
    • HMS3039F07
    • AAA10216
    • Tox21_200685
    • AKOS015915668
    • Benzyl phenylacetate, analytical standard
    • NCGC00091872-01
    • NCGC00091872-02
    • NCGC00258239-01
    • AS-76608
    • Benzyl phenylacetate, >=98%, FCC, FG
    • CAS-102-16-9
    • SMR001372004
    • DB-243101
    • CS-0439888
    • NS00012011
    • P0121
    • D91901
    • Q27273733
    • 203-008-4
    • Acetic acid, phenyl-, benzyl ester (6CI,7CI,8CI); Benzyl benzeneacetate; Benzyl phenylacetate; Benzyl a-toluate

  • Applications

    Benzyl phenylacetate (CAS 102-16-9) is an aromatic ester used primarily in fragrance applications to build and reinforce jasmine-like, sweet, balsamic notes in fine perfumes, body mists, soaps, detergents, fabric softeners, shower gels, creams, and hair-care; it functions as a fixative/modifier improving substantivity on skin and textiles and masking base odors in household formulations; it may be used as a flavor ingredient where permitted, and as an intermediate in organic synthesis or an analytical reference standard; valued for moderate volatility, formulation stability, and broad compatibility with floral, fruity, and amber accords; use is subject to IFRA guidance and local regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 46.24
    methanol 57.17
    isopropanol 21.16
    water 0.17
    ethyl acetate 127.56
    n-propanol 32.26
    acetone 108.38
    n-butanol 24.08
    acetonitrile 119.15
    DMF 214.61
    toluene 28.23
    isobutanol 17.8
    1,4-dioxane 219.35
    methyl acetate 145.47
    THF 248.48
    2-butanone 127.67
    n-pentanol 28.78
    sec-butanol 22.76
    n-hexane 2.12
    ethylene glycol 16.65
    NMP 86.59
    cyclohexane 2.7
    DMSO 269.84
    n-butyl acetate 85.1
    n-octanol 16.07
    chloroform 443.64
    n-propyl acetate 91.99
    acetic acid 89.17
    dichloromethane 420.72
    cyclohexanone 121.85
    propylene glycol 27.64
    isopropyl acetate 65.02
    DMAc 309.78
    2-ethoxyethanol 89.25
    isopentanol 25.67
    n-heptane 3.41
    ethyl formate 72.53
    1,2-dichloroethane 340.07
    n-hexanol 33.54
    2-methoxyethanol 114.74
    isobutyl acetate 57.63
    tetrachloromethane 11.01
    n-pentyl acetate 34.05
    transcutol 529.65
    n-heptanol 17.57
    ethylbenzene 37.8
    MIBK 60.23
    2-propoxyethanol 96.23
    tert-butanol 34.71
    MTBE 37.75
    2-butoxyethanol 55.88
    propionic acid 64.44
    o-xylene 26.77
    formic acid 28.6
    diethyl ether 53.55
    m-xylene 23.4
    p-xylene 41.71
    chlorobenzene 88.93
    dimethyl carbonate 73.28
    n-octane 1.93
    formamide 82.79
    cyclopentanone 171.17
    2-pentanone 75.71
    anisole 124.39
    cyclopentyl methyl ether 51.0
    gamma-butyrolactone 214.03
    1-methoxy-2-propanol 87.29
    pyridine 194.23
    3-pentanone 75.62
    furfural 208.98
    n-dodecane 2.46
    diethylene glycol 74.44
    diisopropyl ether 14.77
    tert-amyl alcohol 29.99
    acetylacetone 149.83
    n-hexadecane 2.78
    acetophenone 113.27
    methyl propionate 99.95
    isopentyl acetate 80.26
    trichloroethylene 553.2
    n-nonanol 17.93
    cyclohexanol 20.07
    benzyl alcohol 65.75
    2-ethylhexanol 28.11
    isooctanol 17.55
    dipropyl ether 51.21
    1,2-dichlorobenzene 103.38
    ethyl lactate 51.1
    propylene carbonate 121.97
    n-methylformamide 86.68
    2-pentanol 16.48
    n-pentane 0.97
    1-propoxy-2-propanol 68.58
    1-methoxy-2-propyl acetate 108.51
    2-(2-methoxypropoxy) propanol 92.63
    mesitylene 17.19
    ε-caprolactone 108.71
    p-cymene 23.86
    epichlorohydrin 323.1
    1,1,1-trichloroethane 129.18
    2-aminoethanol 34.15
    morpholine-4-carbaldehyde 157.89
    sulfolane 211.34
    2,2,4-trimethylpentane 2.11
    2-methyltetrahydrofuran 91.6
    n-hexyl acetate 47.75
    isooctane 1.81
    2-(2-butoxyethoxy)ethanol 119.7
    sec-butyl acetate 63.09
    tert-butyl acetate 69.67
    decalin 5.85
    glycerin 41.83
    diglyme 269.83
    acrylic acid 68.49
    isopropyl myristate 27.91
    n-butyric acid 74.57
    acetyl acetate 95.66
    di(2-ethylhexyl) phthalate 30.06
    ethyl propionate 94.11
    nitromethane 279.9
    1,2-diethoxyethane 129.19
    benzonitrile 86.99
    trioctyl phosphate 17.66
    1-bromopropane 79.23
    gamma-valerolactone 210.57
    n-decanol 14.86
    triethyl phosphate 47.19
    4-methyl-2-pentanol 17.83
    propionitrile 83.47
    vinylene carbonate 131.81
    1,1,2-trichlorotrifluoroethane 175.01
    DMS 89.5
    cumene 27.07
    2-octanol 10.7
    2-hexanone 82.2
    octyl acetate 31.23
    limonene 27.65
    1,2-dimethoxyethane 203.94
    ethyl orthosilicate 41.25
    tributyl phosphate 26.7
    diacetone alcohol 82.34
    N,N-dimethylaniline 73.01
    acrylonitrile 138.25
    aniline 45.04
    1,3-propanediol 41.46
    bromobenzene 89.75
    dibromomethane 208.91
    1,1,2,2-tetrachloroethane 422.13
    2-methyl-cyclohexyl acetate 63.26
    tetrabutyl urea 37.5
    diisobutyl methanol 22.98
    2-phenylethanol 58.47
    styrene 52.33
    dioctyl adipate 53.26
    dimethyl sulfate 117.17
    ethyl butyrate 89.35
    methyl lactate 59.67
    butyl lactate 40.22
    diethyl carbonate 72.75
    propanediol butyl ether 47.47
    triethyl orthoformate 58.28
    p-tert-butyltoluene 21.68
    methyl 4-tert-butylbenzoate 82.17
    morpholine 178.42
    tert-butylamine 17.84
    n-dodecanol 12.64
    dimethoxymethane 149.81
    ethylene carbonate 98.34
    cyrene 79.26
    2-ethoxyethyl acetate 73.54
    2-ethylhexyl acetate 60.83
    1,2,4-trichlorobenzene 112.24
    4-methylpyridine 105.49
    dibutyl ether 38.87
    2,6-dimethyl-4-heptanol 22.98
    DEF 96.31
    dimethyl isosorbide 163.68
    tetrachloroethylene 183.53
    eugenol 79.99
    triacetin 90.32
    span 80 56.33
    1,4-butanediol 20.46
    1,1-dichloroethane 163.96
    2-methyl-1-pentanol 33.24
    methyl formate 79.56
    2-methyl-1-butanol 21.07
    n-decane 3.46
    butyronitrile 59.92
    3,7-dimethyl-1-octanol 25.17
    1-chlorooctane 16.49
    1-chlorotetradecane 8.95
    n-nonane 2.84
    undecane 2.84
    tert-butylcyclohexane 5.58
    cyclooctane 1.06
    cyclopentanol 24.05
    tetrahydropyran 111.28
    tert-amyl methyl ether 34.28
    2,5,8-trioxanonane 195.63
    1-hexene 18.07
    2-isopropoxyethanol 64.28
    2,2,2-trifluoroethanol 36.22
    methyl butyrate 109.67

    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 0.1%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.02%
Narcissus poeticus absolute 8023-75-4 Narcissus poeticus L., fam. Amaryllidaceae 0.1%
Jasmine rose absolute (India) Gardenia jasminoides Ellis, fam. Rubiaceae 1.73%