Phenethyl 2-methylbutyrate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    24817-51-4

    Molecular formula
    C13H18O2

    SMILES
    CCC(C)C(=O)OCCC1=CC=CC=C1

    Retention indicies (RI)

    • Carbowax: 1945.0

  • Odor profile

    Fruity 91.6%
    Floral 79.96%
    Sweet 74.0%
    Green 64.68%
    Rose 58.65%
    Tropical 58.35%
    Honey 51.4%
    Apple 47.89%
    Balsamic 47.12%
    Apricot 43.95%

    Scent© AI

  • Properties

    XLogP3-AA
    3.5

    Molecular weight
    206.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 136.00 °C. @ 30.00 mm Hg

    Flash point est.
    122.89 ˚C

    Solubility expt.

    • Insoluble in water; soluble in oils
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 24817-51-4
    • Phenethyl 2-methylbutyrate
    • 2-Phenylethyl 2-methylbutanoate
    • Butanoic acid, 2-methyl-, 2-phenylethyl ester
    • phenethyl 2-methylbutanoate
    • 2-Phenylethyl 2-methylbutyrate
    • Phenylethyl 2-methylbutyrate
    • Benzylcarbinyl 2-methylbutyrate
    • Butyric acid, 2-methyl-, phenethyl ester
    • Phenylethyl 2-methylbutanoate
    • FEMA No. 3632
    • beta-Phenethyl alpha-methylbutanoate
    • PHENYLETHYL-2-METHYLBUTYRATE
    • beta-Phenylethyl alpha-methylbutanoate
    • 4D2I5SJ45Q
    • DTXSID2047567
    • FEMA 3632
    • EINECS 246-476-5
    • Phenethyl 2-methylbutyrate (natural)
    • BRN 2266397
    • AI3-34503
    • DTXCID0027567
    • 2-PHENETHYL 2-METHYLBUTYRATE
    • PHENETHYL 2-METHYLBUTYRATE [FHFI]
    • (+/-)-PHENETHYL 2-METHYLBUTYRATE
    • .BETA.-PHENYLETHYL 2-METHYLBUTYRATE
    • 2-PHENETHYL 2-METHYLBUTYRATE [FCC]
    • PHENETHYL 2-METHYLBUTYRATE, (+/-)-
    • Benzyl carbinyl ethyl methyl acetate
    • UNII-4D2I5SJ45Q
    • starbld0009589
    • Fema3632
    • Phenylethyl 2-methyl butyrate
    • SCHEMBL872788
    • CHEMBL3183389
    • Tox21_302498
    • beta-Phenethyl alpha-methyl-butanoate
    • AKOS015841189
    • .beta.-Phenethyl .alpha.-methylbutanoate
    • BETA-PHENYLETHYL 2-METHYLBUTYRATE
    • NCGC00256759-01
    • AS-66811
    • CAS-24817-51-4
    • Butanoic acid,2-methyl-,2-phenylethyl ester
    • NS00020612
    • E79176
    • Phenethyl 2-methylbutyrate, >=95%, FCC, FG
    • Butyric acid, 2-methyl-, phenethyl ester (8CI)
    • Q27259426

  • Applications

    Phenethyl 2-methylbutyrate is a premium aromatic ester with a sweet fruity, honey-like, slightly woody odor, widely employed as a fixative and round-off note in fine fragrances—especially white-floral, citrus and oriental accords—while enhancing longevity in soaps, shower gels, shampoos, deodorants, scented candles and personal-care products; it is also FEMA/GRAS approved as a flavor additive for foods, confectionery, beverages and baked goods, where it boosts strawberry, apple and peach nuances and masks bitterness from sweeteners; the compound finds further use in household cleaners, fabric softeners and air-freshening sprays to neutralize malodors and impart a fresh impression, serves as an intermediate for synthesizing related aroma chemicals and as a bio-aroma marker in plant research, its moderate volatility provides processing stability, easy solubility in alcohols, fragrance oils and hydrocarbon solvents, and good compatibility with polymeric encapsulation systems; these attributes make Phenethyl 2-methylbutyrate a versatile, cost-effective and safe choice across fragrance, cosmetic, food and olfactory research industries.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1427.26
    methanol 2079.53
    isopropanol 856.82
    water 0.96
    ethyl acetate 2551.34
    n-propanol 1075.91
    acetone 2697.48
    n-butanol 981.98
    acetonitrile 3326.52
    DMF 2063.16
    toluene 784.58
    isobutanol 770.3
    1,4-dioxane 2684.26
    methyl acetate 1872.96
    THF 1810.91
    2-butanone 1960.58
    n-pentanol 737.83
    sec-butanol 815.62
    n-hexane 142.7
    ethylene glycol 115.31
    NMP 1238.49
    cyclohexane 199.11
    DMSO 1978.01
    n-butyl acetate 1551.12
    n-octanol 265.56
    chloroform 5965.35
    n-propyl acetate 1527.14
    acetic acid 1673.67
    dichloromethane 6571.23
    cyclohexanone 2303.46
    propylene glycol 174.37
    isopropyl acetate 1311.97
    DMAc 1647.53
    2-ethoxyethanol 1126.58
    isopentanol 970.95
    n-heptane 47.55
    ethyl formate 1055.42
    1,2-dichloroethane 4447.78
    n-hexanol 600.09
    2-methoxyethanol 1412.12
    isobutyl acetate 857.47
    tetrachloromethane 526.92
    n-pentyl acetate 688.77
    transcutol 4791.01
    n-heptanol 265.61
    ethylbenzene 472.02
    MIBK 879.03
    2-propoxyethanol 1055.8
    tert-butanol 1128.59
    MTBE 1669.85
    2-butoxyethanol 565.63
    propionic acid 1043.28
    o-xylene 432.97
    formic acid 434.56
    diethyl ether 2386.18
    m-xylene 452.23
    p-xylene 617.14
    chlorobenzene 1572.31
    dimethyl carbonate 552.09
    n-octane 26.86
    formamide 984.33
    cyclopentanone 2038.12
    2-pentanone 1633.98
    anisole 1088.91
    cyclopentyl methyl ether 1019.86
    gamma-butyrolactone 2211.85
    1-methoxy-2-propanol 924.18
    pyridine 2176.75
    3-pentanone 1273.59
    furfural 1833.89
    n-dodecane 24.37
    diethylene glycol 605.43
    diisopropyl ether 447.05
    tert-amyl alcohol 941.39
    acetylacetone 1720.59
    n-hexadecane 29.31
    acetophenone 957.01
    methyl propionate 1339.5
    isopentyl acetate 1261.03
    trichloroethylene 6539.46
    n-nonanol 243.66
    cyclohexanol 782.37
    benzyl alcohol 662.45
    2-ethylhexanol 398.24
    isooctanol 250.03
    dipropyl ether 591.95
    1,2-dichlorobenzene 1414.71
    ethyl lactate 384.03
    propylene carbonate 1266.2
    n-methylformamide 1200.92
    2-pentanol 637.94
    n-pentane 89.31
    1-propoxy-2-propanol 742.97
    1-methoxy-2-propyl acetate 1009.38
    2-(2-methoxypropoxy) propanol 601.79
    mesitylene 287.84
    ε-caprolactone 1878.65
    p-cymene 203.13
    epichlorohydrin 3143.13
    1,1,1-trichloroethane 2778.72
    2-aminoethanol 374.35
    morpholine-4-carbaldehyde 1559.9
    sulfolane 1928.81
    2,2,4-trimethylpentane 67.32
    2-methyltetrahydrofuran 1546.0
    n-hexyl acetate 848.63
    isooctane 55.26
    2-(2-butoxyethoxy)ethanol 910.49
    sec-butyl acetate 942.73
    tert-butyl acetate 1127.08
    decalin 117.38
    glycerin 253.03
    diglyme 1828.88
    acrylic acid 830.26
    isopropyl myristate 297.26
    n-butyric acid 1583.29
    acetyl acetate 1305.19
    di(2-ethylhexyl) phthalate 248.95
    ethyl propionate 1135.93
    nitromethane 3502.91
    1,2-diethoxyethane 1841.58
    benzonitrile 1075.09
    trioctyl phosphate 170.62
    1-bromopropane 1989.09
    gamma-valerolactone 2370.49
    n-decanol 175.4
    triethyl phosphate 342.06
    4-methyl-2-pentanol 390.98
    propionitrile 1678.91
    vinylene carbonate 1273.38
    1,1,2-trichlorotrifluoroethane 1400.88
    DMS 784.76
    cumene 295.77
    2-octanol 196.0
    2-hexanone 1272.98
    octyl acetate 370.17
    limonene 292.91
    1,2-dimethoxyethane 2217.53
    ethyl orthosilicate 330.86
    tributyl phosphate 274.19
    diacetone alcohol 840.17
    N,N-dimethylaniline 581.01
    acrylonitrile 1937.56
    aniline 880.35
    1,3-propanediol 643.55
    bromobenzene 1745.49
    dibromomethane 3922.88
    1,1,2,2-tetrachloroethane 4967.54
    2-methyl-cyclohexyl acetate 567.6
    tetrabutyl urea 318.04
    diisobutyl methanol 234.7
    2-phenylethanol 571.54
    styrene 714.25
    dioctyl adipate 412.95
    dimethyl sulfate 708.12
    ethyl butyrate 932.77
    methyl lactate 383.11
    butyl lactate 454.65
    diethyl carbonate 651.12
    propanediol butyl ether 472.97
    triethyl orthoformate 545.54
    p-tert-butyltoluene 186.9
    methyl 4-tert-butylbenzoate 538.53
    morpholine 2475.62
    tert-butylamine 759.09
    n-dodecanol 134.27
    dimethoxymethane 1366.55
    ethylene carbonate 1143.3
    cyrene 497.49
    2-ethoxyethyl acetate 1026.17
    2-ethylhexyl acetate 914.68
    1,2,4-trichlorobenzene 1360.28
    4-methylpyridine 2088.21
    dibutyl ether 590.65
    2,6-dimethyl-4-heptanol 234.7
    DEF 1771.55
    dimethyl isosorbide 986.81
    tetrachloroethylene 2901.66
    eugenol 582.23
    triacetin 749.03
    span 80 469.38
    1,4-butanediol 284.62
    1,1-dichloroethane 3740.48
    2-methyl-1-pentanol 791.91
    methyl formate 891.64
    2-methyl-1-butanol 863.23
    n-decane 39.52
    butyronitrile 1603.32
    3,7-dimethyl-1-octanol 313.75
    1-chlorooctane 242.74
    1-chlorotetradecane 94.23
    n-nonane 36.1
    undecane 30.03
    tert-butylcyclohexane 108.56
    cyclooctane 50.68
    cyclopentanol 601.27
    tetrahydropyran 2243.18
    tert-amyl methyl ether 951.68
    2,5,8-trioxanonane 1076.56
    1-hexene 648.57
    2-isopropoxyethanol 799.6
    2,2,2-trifluoroethanol 470.61
    methyl butyrate 1645.99

    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
Shanqiu Anaphalis margaritacea (L.) Benth.et Hook.(Shanqiu),fam.Asteraceae (Comp.) 1.84%
Genet absolute 1 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.02%
Rose (Bulgaria) 2 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.04%
Eucalyptus globulus (Algeria) 1 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.05%
Tansy, moroccan (Morocco) 1 Tanacetum annuum L., fam. Asteraceae (Compositae) 0.1%
Eucalyptus globulus (Spain) 2c mature fruits 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.01%
Calamintha nepeta (France) Calamintha nepeta (L.) Savi ssp. nepeta, fam. Lamiaceae (Labiatae) 0.01%