2-Phenylpropyl acetate

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  • Identifiers

    CAS number
    10402-52-5

    Molecular formula
    C11H14O2

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

  • Odor profile

    Fragrance
    Floral 90.32%
    Sweet 85.38%
    Fruity 73.76%
    Green 71.77%
    Balsamic 56.63%
    Honey 47.15%
    Hyacinth 47.15%
    Rose 46.73%
    Fresh 45.94%
    Spicy 41.99%

     

    Flavor
    Sweet 83.27%
    Floral 78.92%
    Rose 60.71%
    Bitter 58.54%
    Fruity 55.24%
    Honey 49.0%
    Balsam 46.17%
    Green 44.7%
    Tropical 41.53%
    Fresh 37.32%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.66 (neutral)

    Molecular weight
    178.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    234°C

    Flash point

    • 113.2 ˚C est.

  • Synonyms

    • 2-Phenylpropyl acetate
    • 10402-52-5
    • Hydratropic acetate
    • Hydratropyl acetate
    • EINECS 233-871-2
    • NSC 190972
    • AI3-35577
    • beta-Methylphenethyl acetate
    • Benzeneethanol, .beta.-methyl-, acetate
    • Benzeneethanol, beta-methyl-, 1-acetate
    • .beta.-Methylphenethyl acetate
    • DTXSID40864264
    • Benzeneethanol, .beta.-methyl-, 1-acetate
    • beta-Methylphenylethyl acetate
    • Benzeneethanol, beta-methyl-, acetate
    • 2-phenylpropylacetate
    • Phenethyl alcohol, .beta.-methyl-, acetate
    • PHENETHYL ALCOHOL, beta-METHYL-, ACETATE
    • .beta.-Phenylpropyl acetate
    • SCHEMBL3504492
    • .beta.-Methylphenylethyl acetate
    • CHEBI:81259
    • DTXCID60812803
    • NSC190972
    • AKOS024323720
    • NSC-190972
    • NS00012624
    • C17665
    • Q27155200
    • 233-871-2

  • Applications

    2-Phenylpropyl acetate (CAS 10402-52-5) is used primarily as a fragrance ingredient and odorant in perfumery and cosmetics, contributing a distinct aroma to perfumes and personal care formulations; it may function as a solvent or processing aid in coatings and printing inks; it is sometimes evaluated for flavor and aroma applications; it can serve as a scent component in household cleaning products; in industrial manufacturing, it can act as an intermediate in fragrance synthesis and related chemical workups; usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 705.33
    methanol 892.76
    isopropanol 448.36
    water 1.82
    ethyl acetate 510.78
    n-propanol 449.88
    acetone 750.93
    n-butanol 356.64
    acetonitrile 589.43
    DMF 1220.83
    toluene 175.39
    isobutanol 288.15
    1,4-dioxane 1127.51
    methyl acetate 531.4
    THF 714.17
    2-butanone 531.88
    n-pentanol 284.08
    sec-butanol 311.74
    n-hexane 23.41
    ethylene glycol 193.84
    NMP 630.78
    cyclohexane 19.79
    DMSO 1172.26
    n-butyl acetate 264.41
    n-octanol 87.34
    chloroform 1516.63
    n-propyl acetate 239.6
    acetic acid 484.87
    dichloromethane 1264.78
    cyclohexanone 551.55
    propylene glycol 252.55
    isopropyl acetate 245.67
    DMAc 960.56
    2-ethoxyethanol 480.91
    isopentanol 315.84
    n-heptane 8.36
    ethyl formate 248.29
    1,2-dichloroethane 843.37
    n-hexanol 224.84
    2-methoxyethanol 742.4
    isobutyl acetate 170.87
    tetrachloromethane 108.97
    n-pentyl acetate 119.45
    transcutol 1536.46
    n-heptanol 79.46
    ethylbenzene 107.63
    MIBK 217.36
    2-propoxyethanol 434.2
    tert-butanol 528.49
    MTBE 413.38
    2-butoxyethanol 190.56
    propionic acid 396.81
    o-xylene 112.96
    formic acid 217.08
    diethyl ether 473.41
    m-xylene 118.7
    p-xylene 133.38
    chlorobenzene 292.56
    dimethyl carbonate 176.13
    n-octane 4.7
    formamide 344.08
    cyclopentanone 599.8
    2-pentanone 356.77
    anisole 327.7
    cyclopentyl methyl ether 301.63
    gamma-butyrolactone 671.07
    1-methoxy-2-propanol 489.53
    pyridine 578.34
    3-pentanone 292.26
    furfural 586.44
    n-dodecane 5.33
    diethylene glycol 376.14
    diisopropyl ether 83.6
    tert-amyl alcohol 357.62
    acetylacetone 421.39
    n-hexadecane 6.14
    acetophenone 249.24
    methyl propionate 373.63
    isopentyl acetate 247.78
    trichloroethylene 1400.0
    n-nonanol 77.36
    cyclohexanol 240.11
    benzyl alcohol 240.9
    2-ethylhexanol 120.81
    isooctanol 68.91
    dipropyl ether 123.23
    1,2-dichlorobenzene 267.57
    ethyl lactate 130.15
    propylene carbonate 349.39
    n-methylformamide 467.93
    2-pentanol 189.79
    n-pentane 12.09
    1-propoxy-2-propanol 256.31
    1-methoxy-2-propyl acetate 281.38
    2-(2-methoxypropoxy) propanol 240.19
    mesitylene 69.8
    ε-caprolactone 446.98
    p-cymene 54.35
    epichlorohydrin 966.66
    1,1,1-trichloroethane 556.89
    2-aminoethanol 349.68
    morpholine-4-carbaldehyde 732.46
    sulfolane 743.3
    2,2,4-trimethylpentane 13.56
    2-methyltetrahydrofuran 516.55
    n-hexyl acetate 197.7
    isooctane 9.96
    2-(2-butoxyethoxy)ethanol 336.77
    sec-butyl acetate 176.16
    tert-butyl acetate 271.93
    decalin 22.3
    glycerin 312.28
    diglyme 610.91
    acrylic acid 311.1
    isopropyl myristate 74.32
    n-butyric acid 406.38
    acetyl acetate 261.58
    di(2-ethylhexyl) phthalate 84.51
    ethyl propionate 214.26
    nitromethane 840.4
    1,2-diethoxyethane 362.25
    benzonitrile 264.54
    trioctyl phosphate 54.03
    1-bromopropane 378.1
    gamma-valerolactone 799.28
    n-decanol 57.38
    triethyl phosphate 94.22
    4-methyl-2-pentanol 116.64
    propionitrile 379.92
    vinylene carbonate 348.4
    1,1,2-trichlorotrifluoroethane 545.62
    DMS 235.57
    cumene 75.95
    2-octanol 54.31
    2-hexanone 263.21
    octyl acetate 94.26
    limonene 76.48
    1,2-dimethoxyethane 697.51
    ethyl orthosilicate 90.33
    tributyl phosphate 79.12
    diacetone alcohol 318.84
    N,N-dimethylaniline 186.49
    acrylonitrile 475.75
    aniline 281.56
    1,3-propanediol 385.33
    bromobenzene 302.62
    dibromomethane 775.66
    1,1,2,2-tetrachloroethane 1152.67
    2-methyl-cyclohexyl acetate 150.82
    tetrabutyl urea 99.07
    diisobutyl methanol 65.81
    2-phenylethanol 194.51
    styrene 148.62
    dioctyl adipate 119.05
    dimethyl sulfate 299.97
    ethyl butyrate 169.26
    methyl lactate 184.95
    butyl lactate 123.03
    diethyl carbonate 133.11
    propanediol butyl ether 209.27
    triethyl orthoformate 120.39
    p-tert-butyltoluene 54.63
    methyl 4-tert-butylbenzoate 180.35
    morpholine 1135.21
    tert-butylamine 269.87
    n-dodecanol 43.84
    dimethoxymethane 511.84
    ethylene carbonate 293.95
    cyrene 224.88
    2-ethoxyethyl acetate 232.79
    2-ethylhexyl acetate 185.95
    1,2,4-trichlorobenzene 332.88
    4-methylpyridine 534.39
    dibutyl ether 123.69
    2,6-dimethyl-4-heptanol 65.81
    DEF 456.84
    dimethyl isosorbide 345.05
    tetrachloroethylene 650.7
    eugenol 193.03
    triacetin 227.87
    span 80 178.36
    1,4-butanediol 177.87
    1,1-dichloroethane 776.88
    2-methyl-1-pentanol 249.24
    methyl formate 315.02
    2-methyl-1-butanol 284.68
    n-decane 8.4
    butyronitrile 345.62
    3,7-dimethyl-1-octanol 101.78
    1-chlorooctane 56.33
    1-chlorotetradecane 22.74
    n-nonane 7.62
    undecane 6.43
    tert-butylcyclohexane 24.06
    cyclooctane 6.38
    cyclopentanol 239.63
    tetrahydropyran 638.15
    tert-amyl methyl ether 252.17
    2,5,8-trioxanonane 412.45
    1-hexene 145.22
    2-isopropoxyethanol 309.22
    2,2,2-trifluoroethanol 173.68
    methyl butyrate 291.84

    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