Methyl alpha-methylbenzeneacetate

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  • Identifiers

    CAS number
    31508-44-8

    Molecular formula
    C10H12O2

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 91.98%
    Floral 84.94%
    Sweet 83.3%
    Honey 62.2%
    Balsamic 50.96%
    Rose 50.36%
    Tropical 48.11%
    Powdery 42.86%
    Green 42.55%
    Spicy 39.92%

     

    Flavor
    Floral 75.33%
    Fruity 61.22%
    Rose 49.77%
    Green 49.1%
    Sweet 45.14%
    Tropical 40.34%
    Honey 40.07%
    Waxy 36.97%
    Bitter 30.19%
    Fresh 28.59%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    6.53 (neutral)

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    216°C

    Flash point

    • 95.69 ˚C est.

  • Synonyms

    • 31508-44-8
    • Methyl 2-phenylpropionate
    • QW1K1BTG3V
    • Benzeneacetic acid, alpha-methyl-, methyl ester
    • RefChem:1089538
    • Methyl alpha-methylbenzeneacetate
    • 250-667-9
    • methyl 2-phenylpropanoate
    • Methyl hydratropate
    • R,S-2-Phenyl-propionicacidmethylester
    • 2-PHENYLPROPANOIC ACID METHYL ESTER
    • MFCD06795946
    • 2-phenyl-propionic acid methyl ester
    • Benzeneacetic acid, .alpha.-methyl-, methyl ester
    • UNII-QW1K1BTG3V
    • EINECS 250-667-9
    • methyl2-phenylpropanoate
    • Hydratropic acid, methyl
    • AI3-07002
    • methyl-2-phenylpropanoate
    • ALPHA-PHENYLPROPIONIC ACID METHYL ESTER
    • SCHEMBL183940
    • SCHEMBL295570
    • SCHEMBL995726
    • SCHEMBL998674
    • methyl alpha-methylphenylacetate
    • SCHEMBL7547122
    • Methyl 2-phenylpropanoate, 95%
    • DTXSID50953496
    • phenyl propionic acid methyl ester
    • GBA50844
    • METHYL (+/-)-HYDRATROPATE
    • MFCD27578380
    • AKOS011680425
    • METHYL 2-METHYL-2-PHENYLACETATE
    • (Y)-2-phenylpropionic acid methyl ester
    • (+/-)-METHYL 2-PHENYLPROPANOATE
    • AS-63286
    • SY033986
    • METHYL .ALPHA.-METHYLBENZENEACETATE
    • DB-319883
    • CS-0047037
    • METHYL 2-PHENYLPROPIONATE, (+/-)-
    • NS00052196
    • W13540
    • EN300-1138063
    • F246440
    • Q27287526
    • 31508-44-8

  • Applications

    Methyl alpha-methylbenzeneacetate (CAS 31508-44-8) is used primarily as a fragrance ingredient and aroma intermediate in perfumery, contributing fruity and floral notes to formulations for cosmetics and personal care products as well as air fresheners and household cleaners. It also serves as a chemical intermediate for the synthesis of related phenylacetate derivatives in fine chemicals. In some cases it may be evaluated as a flavor/aroma additive under regulatory controls in food and beverage formulations. Its use is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 699.61
    methanol 991.63
    isopropanol 522.33
    water 6.35
    ethyl acetate 628.46
    n-propanol 576.38
    acetone 563.22
    n-butanol 505.6
    acetonitrile 1015.51
    DMF 946.64
    toluene 297.36
    isobutanol 432.22
    1,4-dioxane 1583.22
    methyl acetate 629.61
    THF 690.25
    2-butanone 523.54
    n-pentanol 360.83
    sec-butanol 438.06
    n-hexane 33.51
    ethylene glycol 185.75
    NMP 570.24
    cyclohexane 67.16
    DMSO 584.93
    n-butyl acetate 343.1
    n-octanol 179.95
    chloroform 2299.5
    n-propyl acetate 364.15
    acetic acid 671.51
    dichloromethane 2335.31
    cyclohexanone 737.81
    propylene glycol 166.62
    isopropyl acetate 279.19
    DMAc 578.93
    2-ethoxyethanol 573.83
    isopentanol 416.03
    n-heptane 26.25
    ethyl formate 510.58
    1,2-dichloroethane 1319.14
    n-hexanol 292.89
    2-methoxyethanol 771.25
    isobutyl acetate 209.6
    tetrachloromethane 271.01
    n-pentyl acetate 200.9
    transcutol 1075.46
    n-heptanol 166.91
    ethylbenzene 197.15
    MIBK 249.1
    2-propoxyethanol 427.51
    tert-butanol 734.67
    MTBE 486.29
    2-butoxyethanol 289.5
    propionic acid 491.3
    o-xylene 206.66
    formic acid 310.96
    diethyl ether 598.97
    m-xylene 194.98
    p-xylene 241.65
    chlorobenzene 471.7
    dimethyl carbonate 220.55
    n-octane 18.52
    formamide 647.02
    cyclopentanone 677.93
    2-pentanone 402.21
    anisole 443.49
    cyclopentyl methyl ether 319.65
    gamma-butyrolactone 867.78
    1-methoxy-2-propanol 442.85
    pyridine 858.37
    3-pentanone 334.26
    furfural 816.06
    n-dodecane 17.16
    diethylene glycol 355.18
    diisopropyl ether 120.01
    tert-amyl alcohol 531.32
    acetylacetone 375.74
    n-hexadecane 19.78
    acetophenone 343.56
    methyl propionate 410.8
    isopentyl acetate 276.55
    trichloroethylene 2193.34
    n-nonanol 152.19
    cyclohexanol 368.99
    benzyl alcohol 341.8
    2-ethylhexanol 169.56
    isooctanol 141.15
    dipropyl ether 182.35
    1,2-dichlorobenzene 415.98
    ethyl lactate 166.79
    propylene carbonate 484.04
    n-methylformamide 677.35
    2-pentanol 286.93
    n-pentane 33.36
    1-propoxy-2-propanol 259.58
    1-methoxy-2-propyl acetate 256.44
    2-(2-methoxypropoxy) propanol 243.76
    mesitylene 123.41
    ε-caprolactone 588.06
    p-cymene 94.86
    epichlorohydrin 1153.4
    1,1,1-trichloroethane 962.97
    2-aminoethanol 355.25
    morpholine-4-carbaldehyde 750.03
    sulfolane 742.06
    2,2,4-trimethylpentane 27.48
    2-methyltetrahydrofuran 567.45
    n-hexyl acetate 299.57
    isooctane 20.73
    2-(2-butoxyethoxy)ethanol 343.76
    sec-butyl acetate 232.86
    tert-butyl acetate 295.26
    decalin 41.95
    glycerin 228.4
    diglyme 669.85
    acrylic acid 431.84
    isopropyl myristate 110.24
    n-butyric acid 587.16
    acetyl acetate 326.58
    di(2-ethylhexyl) phthalate 102.5
    ethyl propionate 305.16
    nitromethane 1157.51
    1,2-diethoxyethane 384.32
    benzonitrile 439.07
    trioctyl phosphate 78.94
    1-bromopropane 592.27
    gamma-valerolactone 868.93
    n-decanol 109.87
    triethyl phosphate 121.99
    4-methyl-2-pentanol 158.44
    propionitrile 704.21
    vinylene carbonate 558.15
    1,1,2-trichlorotrifluoroethane 623.24
    DMS 246.15
    cumene 135.89
    2-octanol 124.54
    2-hexanone 316.46
    octyl acetate 145.85
    limonene 123.91
    1,2-dimethoxyethane 821.9
    ethyl orthosilicate 118.53
    tributyl phosphate 96.41
    diacetone alcohol 316.99
    N,N-dimethylaniline 263.86
    acrylonitrile 866.21
    aniline 413.81
    1,3-propanediol 486.52
    bromobenzene 501.03
    dibromomethane 1373.72
    1,1,2,2-tetrachloroethane 1498.18
    2-methyl-cyclohexyl acetate 183.54
    tetrabutyl urea 124.72
    diisobutyl methanol 100.35
    2-phenylethanol 253.29
    styrene 274.74
    dioctyl adipate 149.84
    dimethyl sulfate 287.19
    ethyl butyrate 255.25
    methyl lactate 179.06
    butyl lactate 151.09
    diethyl carbonate 199.7
    propanediol butyl ether 230.25
    triethyl orthoformate 166.82
    p-tert-butyltoluene 90.8
    methyl 4-tert-butylbenzoate 235.35
    morpholine 1286.49
    tert-butylamine 450.77
    n-dodecanol 82.09
    dimethoxymethane 543.83
    ethylene carbonate 464.7
    cyrene 243.46
    2-ethoxyethyl acetate 290.6
    2-ethylhexyl acetate 206.0
    1,2,4-trichlorobenzene 454.95
    4-methylpyridine 722.53
    dibutyl ether 193.83
    2,6-dimethyl-4-heptanol 100.35
    DEF 479.41
    dimethyl isosorbide 356.46
    tetrachloroethylene 994.78
    eugenol 254.46
    triacetin 246.9
    span 80 183.27
    1,4-butanediol 216.86
    1,1-dichloroethane 1190.73
    2-methyl-1-pentanol 312.36
    methyl formate 535.12
    2-methyl-1-butanol 398.0
    n-decane 27.56
    butyronitrile 601.67
    3,7-dimethyl-1-octanol 148.61
    1-chlorooctane 128.88
    1-chlorotetradecane 49.49
    n-nonane 25.65
    undecane 21.16
    tert-butylcyclohexane 41.71
    cyclooctane 19.89
    cyclopentanol 345.23
    tetrahydropyran 858.66
    tert-amyl methyl ether 309.49
    2,5,8-trioxanonane 426.3
    1-hexene 164.76
    2-isopropoxyethanol 355.54
    2,2,2-trifluoroethanol 275.57
    methyl butyrate 422.19

    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