2-Methyl-3-phenylpropyl acetate

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  • Identifiers

    CAS number
    79211-56-6

    Molecular formula
    C12H16O2

    SMILES
    CC(CC1=CC=CC=C1)COC(=O)C

  • Odor profile

    Fragrance
    Floral 87.74%
    Fruity 81.3%
    Sweet 81.23%
    Green 68.12%
    Balsamic 56.36%
    Rose 47.25%
    Honey 45.04%
    Spicy 44.79%
    Hyacinth 43.89%
    Fresh 41.76%

     

    Flavor
    Sweet 86.54%
    Floral 68.72%
    Rose 54.82%
    Bitter 54.1%
    Fruity 53.43%
    Balsam 50.65%
    Honey 46.42%
    Spicy 39.18%
    Green 37.15%
    Herbal 35.46%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.84 (neutral)

    Molecular weight
    192.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    247°C

    Flash point

    • 121.48 ˚C est.

  • Synonyms

    • 2-methyl-3-phenylpropyl acetate
    • 79211-56-6
    • DTXSID00282546
    • NSC26441
    • SCHEMBL10886546
    • DTXCID00233699
    • NSC-26441

  • Applications

    2-Methyl-3-phenylpropyl acetate is commonly used in perfumery and cosmetics as a fragrance ingredient, contributing subtle floral-woody notes and, in some formulations, acting as a fixative. It is also encountered in household products such as air fresheners and cleaners to impart scent, and in coatings and inks as a fragrance additive or processing solvent for scented formulations. In industrial manufacturing, it can serve as an intermediate in fragrance synthesis or as a compatible solvent in aroma-related formulation systems, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 856.69
    methanol 1160.87
    isopropanol 540.97
    water 0.73
    ethyl acetate 605.54
    n-propanol 526.86
    acetone 1280.21
    n-butanol 468.15
    acetonitrile 650.79
    DMF 1218.61
    toluene 173.89
    isobutanol 360.57
    1,4-dioxane 933.05
    methyl acetate 643.63
    THF 966.13
    2-butanone 742.36
    n-pentanol 394.88
    sec-butanol 358.39
    n-hexane 41.47
    ethylene glycol 226.43
    NMP 593.37
    cyclohexane 20.78
    DMSO 1474.6
    n-butyl acetate 400.0
    n-octanol 154.24
    chloroform 1412.77
    n-propyl acetate 349.52
    acetic acid 552.89
    dichloromethane 1250.47
    cyclohexanone 647.18
    propylene glycol 341.89
    isopropyl acetate 338.15
    DMAc 969.84
    2-ethoxyethanol 668.06
    isopentanol 435.65
    n-heptane 13.14
    ethyl formate 313.61
    1,2-dichloroethane 867.91
    n-hexanol 369.67
    2-methoxyethanol 925.06
    isobutyl acetate 273.43
    tetrachloromethane 109.66
    n-pentyl acetate 188.06
    transcutol 2026.33
    n-heptanol 126.7
    ethylbenzene 133.06
    MIBK 344.0
    2-propoxyethanol 654.62
    tert-butanol 651.13
    MTBE 587.07
    2-butoxyethanol 289.46
    propionic acid 417.57
    o-xylene 123.05
    formic acid 206.59
    diethyl ether 579.24
    m-xylene 140.03
    p-xylene 157.05
    chlorobenzene 308.03
    dimethyl carbonate 213.35
    n-octane 8.25
    formamide 276.04
    cyclopentanone 764.6
    2-pentanone 552.11
    anisole 389.49
    cyclopentyl methyl ether 420.27
    gamma-butyrolactone 704.69
    1-methoxy-2-propanol 702.08
    pyridine 505.36
    3-pentanone 381.18
    furfural 617.22
    n-dodecane 8.66
    diethylene glycol 533.28
    diisopropyl ether 127.7
    tert-amyl alcohol 435.39
    acetylacetone 601.31
    n-hexadecane 9.97
    acetophenone 309.48
    methyl propionate 454.31
    isopentyl acetate 376.29
    trichloroethylene 1440.21
    n-nonanol 126.98
    cyclohexanol 277.61
    benzyl alcohol 292.09
    2-ethylhexanol 186.82
    isooctanol 111.69
    dipropyl ether 193.17
    1,2-dichlorobenzene 296.13
    ethyl lactate 187.65
    propylene carbonate 404.53
    n-methylformamide 463.02
    2-pentanol 274.44
    n-pentane 18.99
    1-propoxy-2-propanol 409.48
    1-methoxy-2-propyl acetate 407.34
    2-(2-methoxypropoxy) propanol 333.84
    mesitylene 88.85
    ε-caprolactone 491.01
    p-cymene 73.01
    epichlorohydrin 1042.31
    1,1,1-trichloroethane 607.12
    2-aminoethanol 398.44
    morpholine-4-carbaldehyde 732.62
    sulfolane 836.15
    2,2,4-trimethylpentane 18.74
    2-methyltetrahydrofuran 645.1
    n-hexyl acetate 315.07
    isooctane 16.75
    2-(2-butoxyethoxy)ethanol 471.55
    sec-butyl acetate 253.11
    tert-butyl acetate 392.57
    decalin 29.54
    glycerin 378.5
    diglyme 787.87
    acrylic acid 338.33
    isopropyl myristate 111.34
    n-butyric acid 516.83
    acetyl acetate 331.56
    di(2-ethylhexyl) phthalate 121.46
    ethyl propionate 282.72
    nitromethane 922.86
    1,2-diethoxyethane 503.98
    benzonitrile 316.84
    trioctyl phosphate 80.87
    1-bromopropane 426.76
    gamma-valerolactone 868.72
    n-decanol 94.37
    triethyl phosphate 116.36
    4-methyl-2-pentanol 180.16
    propionitrile 422.57
    vinylene carbonate 373.92
    1,1,2-trichlorotrifluoroethane 659.41
    DMS 302.09
    cumene 99.22
    2-octanol 88.16
    2-hexanone 432.97
    octyl acetate 145.11
    limonene 103.41
    1,2-dimethoxyethane 880.97
    ethyl orthosilicate 115.62
    tributyl phosphate 119.47
    diacetone alcohol 449.43
    N,N-dimethylaniline 227.69
    acrylonitrile 477.54
    aniline 278.05
    1,3-propanediol 455.17
    bromobenzene 319.39
    dibromomethane 785.73
    1,1,2,2-tetrachloroethane 1209.49
    2-methyl-cyclohexyl acetate 202.97
    tetrabutyl urea 142.6
    diisobutyl methanol 98.83
    2-phenylethanol 265.54
    styrene 173.87
    dioctyl adipate 172.19
    dimethyl sulfate 335.66
    ethyl butyrate 238.43
    methyl lactate 242.58
    butyl lactate 191.37
    diethyl carbonate 165.88
    propanediol butyl ether 360.55
    triethyl orthoformate 161.48
    p-tert-butyltoluene 74.52
    methyl 4-tert-butylbenzoate 235.23
    morpholine 1012.34
    tert-butylamine 327.36
    n-dodecanol 70.55
    dimethoxymethane 673.32
    ethylene carbonate 309.32
    cyrene 279.04
    2-ethoxyethyl acetate 326.21
    2-ethylhexyl acetate 259.64
    1,2,4-trichlorobenzene 359.53
    4-methylpyridine 539.97
    dibutyl ether 199.87
    2,6-dimethyl-4-heptanol 98.83
    DEF 524.2
    dimethyl isosorbide 434.55
    tetrachloroethylene 661.07
    eugenol 254.12
    triacetin 323.8
    span 80 254.74
    1,4-butanediol 249.46
    1,1-dichloroethane 840.26
    2-methyl-1-pentanol 342.11
    methyl formate 369.22
    2-methyl-1-butanol 352.7
    n-decane 14.72
    butyronitrile 436.25
    3,7-dimethyl-1-octanol 163.1
    1-chlorooctane 92.77
    1-chlorotetradecane 35.12
    n-nonane 14.14
    undecane 10.8
    tert-butylcyclohexane 33.58
    cyclooctane 8.25
    cyclopentanol 272.29
    tetrahydropyran 677.64
    tert-amyl methyl ether 354.25
    2,5,8-trioxanonane 513.41
    1-hexene 229.77
    2-isopropoxyethanol 470.6
    2,2,2-trifluoroethanol 174.91
    methyl butyrate 378.82

    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