1-Phenylethyl Acetate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    93-92-5

    Molecular formula
    C10H12O2

    SMILES
    CC(C1=CC=CC=C1)OC(=O)C

    Retention indicies (RI)

    • DB5: 1192.0
    • Carbowax: 1673.0

  • Odor profile

    Fruity 91.48%
    Floral 87.94%
    Sweet 76.27%
    Green 75.55%
    Fresh 55.34%
    Jasmin 49.78%
    Herbal 45.11%
    Balsamic 41.19%
    Tropical 37.17%
    Cherry 36.79%

    Scent© AI

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    7.05 (neutral)

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 94.00 to 95.00 °C. @ 12.00 mm Hg

    Flash point est.
    98.01 ˚C

    Solubility expt.

    • insoluble in water; soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • 1-Phenylethyl acetate
    • Styralyl acetate
    • 93-92-5
    • Styrallyl acetate
    • alpha-Methylbenzyl acetate
    • Gardenol
    • Methylphenylcarbinyl acetate
    • Gardeniol II
    • Styrylallyl acetate
    • Methylphenylcarbinol acetate
    • Phenylmethylcarbinyl acetate
    • Methyl phenyl carbinyl acetate
    • alpha-Phenylethyl acetate
    • sec-Phenethyl acetate
    • (+/-)-alpha-Methylbenzyl acetate
    • sec-Phenylethyl acetate
    • methyl phenylcarbinyl acetate
    • .alpha.-Methylbenzyl acetate
    • Benzenemethanol, a-methyl-, acetate
    • FEMA No. 2684
    • Benzenemethanol, alpha-methyl-, acetate
    • alpha-Methylbenzyl alcohol acetate
    • UNII-FYS3E9NBA3
    • alpha-Methylbenzenemethanol acetate
    • BENZENEMETHANOL, .ALPHA.-METHYL-, ACETATE
    • NSC 2397
    • EINECS 202-288-5
    • Benzyl alcohol, alpha-methyl-, acetate
    • BRN 1908635
    • DTXSID6041636
    • AI3-18152
    • NSC-2397
    • 1-Acetoxy-1-phenylethane
    • FYS3E9NBA3
    • 29759-11-3
    • .alpha.-Phenylethyl acetate
    • Benzyl alcohol, .alpha.-methyl-, acetate
    • DTXCID4021636
    • FEMA 2684
    • EC 202-288-5
    • 4-06-00-03037 (Beilstein Handbook Reference)
    • .alpha.-Methylbenzyl alcohol, acetate
    • Benzenemethanol, alpha-methyl-, 1-acetate
    • METHYL PHENYLCARBINYL ACETATE [FCC]
    • .ALPHA.-METHYLBENZYL ACETATE [FHFI]
    • Methylbenzyl acetate
    • UNII-P4RVP859F5
    • Acetic acid, 1-(R)-phenylethyl ester
    • Acetic acid, 1-(S)-phenylethyl ester
    • Benzenemethanol, methyl-, acetate
    • Benzyl alcohol, methyl-, acetate
    • MFCD00008858
    • 1-Phenylethyl acetic acid
    • racemic 1-phenylethyl acetate
    • SCHEMBL114793
    • P4RVP859F5
    • CHEMBL3184429
    • acetic acid 1-phenyl-ethyl ester
    • NSC2397
    • CHEBI:180412
    • alpha-Methylbenzyl alcohol, acetate
    • Tox21_300948
    • .+/-.-.alpha.-Methylbenzyl acetate
    • AKOS015964844
    • DS-6630
    • CAS-93-92-5
    • NCGC00248223-01
    • NCGC00254850-01
    • 50373-55-2
    • DB-253761
    • CS-0154089
    • NS00005938
    • alpha-Methylbenzyl acetate, analytical standard
    • E75947
    • Methyl phenylcarbinyl acetate, >=98%, FCC, FG
    • Q27278293

  • Applications

    Methyl phenylcarbinyl acetate (CAS 93-92-5) is a fragrant ester with a mild rosy-fruity aroma that is widely used as a flavour and fragrance component in fine perfumes, skincare cosmetics, personal-care products, soaps and detergents, is added to food flavours for jams, candies and beverages to impart gentle honey-fruit notes; it also functions as a solvent for synthetic resins, cellulose acetate, inks and coatings, serves as an intermediate in pharmaceutical and agrochemical synthesis, helps tune tobacco aroma, and is employed as a reference standard in gas chromatography and in aroma chemistry research.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 579.64
    methanol 873.16
    isopropanol 400.06
    water 7.03
    ethyl acetate 301.4
    n-propanol 407.31
    acetone 512.6
    n-butanol 339.76
    acetonitrile 524.28
    DMF 1049.23
    toluene 166.62
    isobutanol 284.91
    1,4-dioxane 937.34
    methyl acetate 344.98
    THF 713.09
    2-butanone 338.63
    n-pentanol 247.03
    sec-butanol 308.97
    n-hexane 48.56
    ethylene glycol 233.09
    NMP 783.1
    cyclohexane 53.17
    DMSO 983.64
    n-butyl acetate 175.56
    n-octanol 121.06
    chloroform 1271.57
    n-propyl acetate 152.14
    acetic acid 493.15
    dichloromethane 1092.26
    cyclohexanone 485.19
    propylene glycol 218.74
    isopropyl acetate 155.74
    DMAc 832.74
    2-ethoxyethanol 352.02
    isopentanol 265.43
    n-heptane 20.73
    ethyl formate 209.63
    1,2-dichloroethane 582.19
    n-hexanol 210.78
    2-methoxyethanol 642.31
    isobutyl acetate 104.0
    tetrachloromethane 103.92
    n-pentyl acetate 113.38
    transcutol 1008.86
    n-heptanol 85.22
    ethylbenzene 106.89
    MIBK 157.14
    2-propoxyethanol 350.1
    tert-butanol 444.95
    MTBE 298.81
    2-butoxyethanol 168.31
    propionic acid 350.42
    o-xylene 113.82
    formic acid 252.66
    diethyl ether 352.55
    m-xylene 115.1
    p-xylene 126.04
    chlorobenzene 261.93
    dimethyl carbonate 156.45
    n-octane 10.74
    formamide 344.06
    cyclopentanone 528.21
    2-pentanone 255.21
    anisole 254.9
    cyclopentyl methyl ether 292.62
    gamma-butyrolactone 631.26
    1-methoxy-2-propanol 410.42
    pyridine 435.99
    3-pentanone 228.57
    furfural 514.45
    n-dodecane 12.01
    diethylene glycol 333.78
    diisopropyl ether 76.44
    tert-amyl alcohol 332.52
    acetylacetone 309.65
    n-hexadecane 13.38
    acetophenone 200.87
    methyl propionate 279.46
    isopentyl acetate 160.07
    trichloroethylene 948.58
    n-nonanol 102.31
    cyclohexanol 290.03
    benzyl alcohol 200.41
    2-ethylhexanol 116.44
    isooctanol 70.97
    dipropyl ether 127.21
    1,2-dichlorobenzene 237.79
    ethyl lactate 110.79
    propylene carbonate 328.18
    n-methylformamide 449.04
    2-pentanol 191.41
    n-pentane 35.04
    1-propoxy-2-propanol 211.33
    1-methoxy-2-propyl acetate 191.54
    2-(2-methoxypropoxy) propanol 207.54
    mesitylene 68.57
    ε-caprolactone 388.02
    p-cymene 56.19
    epichlorohydrin 665.46
    1,1,1-trichloroethane 423.94
    2-aminoethanol 340.65
    morpholine-4-carbaldehyde 701.52
    sulfolane 728.62
    2,2,4-trimethylpentane 20.04
    2-methyltetrahydrofuran 473.06
    n-hexyl acetate 203.96
    isooctane 13.52
    2-(2-butoxyethoxy)ethanol 289.07
    sec-butyl acetate 107.58
    tert-butyl acetate 179.23
    decalin 35.27
    glycerin 292.45
    diglyme 489.57
    acrylic acid 309.08
    isopropyl myristate 80.73
    n-butyric acid 339.43
    acetyl acetate 200.12
    di(2-ethylhexyl) phthalate 86.74
    ethyl propionate 153.49
    nitromethane 706.21
    1,2-diethoxyethane 261.44
    benzonitrile 250.56
    trioctyl phosphate 59.55
    1-bromopropane 334.09
    gamma-valerolactone 654.77
    n-decanol 77.07
    triethyl phosphate 88.5
    4-methyl-2-pentanol 102.19
    propionitrile 339.13
    vinylene carbonate 323.46
    1,1,2-trichlorotrifluoroethane 406.39
    DMS 201.78
    cumene 76.14
    2-octanol 66.85
    2-hexanone 184.34
    octyl acetate 103.71
    limonene 84.27
    1,2-dimethoxyethane 548.53
    ethyl orthosilicate 85.57
    tributyl phosphate 79.66
    diacetone alcohol 235.78
    N,N-dimethylaniline 170.72
    acrylonitrile 405.43
    aniline 249.72
    1,3-propanediol 353.38
    bromobenzene 275.33
    dibromomethane 674.01
    1,1,2,2-tetrachloroethane 773.11
    2-methyl-cyclohexyl acetate 129.51
    tetrabutyl urea 109.41
    diisobutyl methanol 65.26
    2-phenylethanol 169.16
    styrene 134.2
    dioctyl adipate 117.17
    dimethyl sulfate 265.59
    ethyl butyrate 134.43
    methyl lactate 162.9
    butyl lactate 105.71
    diethyl carbonate 114.49
    propanediol butyl ether 200.28
    triethyl orthoformate 102.11
    p-tert-butyltoluene 55.2
    methyl 4-tert-butylbenzoate 171.68
    morpholine 817.42
    tert-butylamine 263.62
    n-dodecanol 59.58
    dimethoxymethane 444.34
    ethylene carbonate 271.47
    cyrene 207.81
    2-ethoxyethyl acetate 173.14
    2-ethylhexyl acetate 127.52
    1,2,4-trichlorobenzene 282.11
    4-methylpyridine 430.42
    dibutyl ether 134.49
    2,6-dimethyl-4-heptanol 65.26
    DEF 358.35
    dimethyl isosorbide 303.09
    tetrachloroethylene 454.8
    eugenol 175.15
    triacetin 201.69
    span 80 167.22
    1,4-butanediol 165.37
    1,1-dichloroethane 550.33
    2-methyl-1-pentanol 215.61
    methyl formate 319.56
    2-methyl-1-butanol 269.25
    n-decane 18.43
    butyronitrile 316.49
    3,7-dimethyl-1-octanol 108.6
    1-chlorooctane 84.48
    1-chlorotetradecane 34.83
    n-nonane 18.49
    undecane 14.43
    tert-butylcyclohexane 33.72
    cyclooctane 15.37
    cyclopentanol 291.25
    tetrahydropyran 564.87
    tert-amyl methyl ether 210.44
    2,5,8-trioxanonane 351.76
    1-hexene 161.67
    2-isopropoxyethanol 220.64
    2,2,2-trifluoroethanol 171.21
    methyl butyrate 203.78

    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
Jasmine rose absolute (India) Gardenia jasminoides Ellis, fam. Rubiaceae 1.22%