2-Phenoxyethyl isobutyrate

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  • Identifiers

    CAS number
    103-60-6

    Molecular formula
    C12H16O3

    SMILES
    CC(C)C(=O)OCCOC1=CC=CC=C1

  • Odor profile

    Fragrance
    Fruity 93.36%
    Floral 66.76%
    Sweet 64.68%
    Tropical 51.8%
    Green 50.89%
    Honey 49.42%
    Rose 46.85%
    Apple 39.2%
    Pineapple 38.75%
    Apricot 37.51%

     

    Flavor
    Fruity 85.29%
    Floral 63.03%
    Sweet 57.59%
    Rose 44.32%
    Tropical 42.87%
    Bitter 39.62%
    Green 39.51%
    Berry 36.38%
    Balsam 34.46%
    Jasmin 33.74%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.12 (neutral)

    Molecular weight
    208.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point

    • 125.00 to 127.00 °C. @ 4.00 mm Hg

    Flash point

    • 127.61 ˚C est.

    Solubility expt.

    • 210 mg/L @ 20 °C (exp)
    • Insoluble in water; miscible in alcohols, chloroform, ether; Soluble in oils
    • 1 mL in 3 mL 70% alcohol (in ethanol)

  • Synonyms

    • 2-Phenoxyethyl isobutyrate
    • 103-60-6
    • Phenoxyethyl isobutyrate
    • 2-Phenoxyethyl 2-methylpropanoate
    • PROPANOIC ACID, 2-METHYL-, 2-PHENOXYETHYL ESTER
    • Isobutyric acid, 2-phenoxyethyl ester
    • FEMA No. 2873
    • Ethylene glycol monophenyl ether isobutyrate
    • EINECS 203-127-1
    • NSC 227210
    • UNII-43ENB1627Z
    • BRN 2215248
    • DTXSID7042279
    • AI3-02711
    • 43ENB1627Z
    • NSC-227210
    • beta-Phenoxyethyl iso-butyrate
    • DTXCID5022279
    • .beta.-Phenoxyethyl iso-butyrate
    • EC 203-127-1
    • Isobutyric acid, 2-phenoxyethyl ester (6CI,8CI)
    • PHENOXYETHYL ISOBUTYRATE, 2-
    • PHENOXYETHYL ISOBUTYRATE [FCC]
    • 2-PHENOXYETHYL ISOBUTYRATE [FHFI]
    • Propanoic acid, 2-phenoxyethyl ester
    • MFCD00027363
    • phenoxyethylisobutyrat
    • Ethylene glycol monophenylether isobutyrate
    • SCHEMBL113298
    • CHEMBL3182892
    • FEMA 2873
    • CHEBI:173600
    • AAA10360
    • Tox21_301056
    • 2-Phenoxyethyl 2-methylpropanoate #
    • Isobutyric Acid 2-Phenoxyethyl Ester
    • NSC227210
    • NSC406209
    • AKOS015888199
    • CS-W015211
    • NSC-406209
    • NCGC00248271-01
    • NCGC00254958-01
    • CAS-103-60-6
    • DS-12108
    • 2-Phenoxyethyl isobutyrate, >=97%, FCC
    • DB-040468
    • NS00011504
    • P1822
    • Q27258647
    • 203-127-1

  • Applications

    2-Phenoxyethyl isobutyrate (CAS 103-60-6) is an ester commonly used as a plasticizer and solvent in coatings and inks; it also often serves as a processing aid for adhesives and plastics; in perfumery and cosmetics it can function as a fragrance solvent or fixative; in household and personal care formulations it acts as a solvent and emollient; and in industrial manufacturing it is used as a processing aid in resin and adhesive systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 456.57
    methanol 711.14
    isopropanol 308.3
    water 1.98
    ethyl acetate 1643.38
    n-propanol 322.68
    acetone 1626.34
    n-butanol 309.09
    acetonitrile 2211.47
    DMF 1196.4
    toluene 419.63
    isobutanol 256.05
    1,4-dioxane 1332.12
    methyl acetate 1293.79
    THF 1409.13
    2-butanone 1143.03
    n-pentanol 299.48
    sec-butanol 319.09
    n-hexane 79.54
    ethylene glycol 104.65
    NMP 928.89
    cyclohexane 102.08
    DMSO 1892.66
    n-butyl acetate 878.1
    n-octanol 143.96
    chloroform 3397.4
    n-propyl acetate 897.03
    acetic acid 996.44
    dichloromethane 4670.49
    cyclohexanone 1104.93
    propylene glycol 99.87
    isopropyl acetate 755.79
    DMAc 1319.16
    2-ethoxyethanol 826.23
    isopentanol 340.03
    n-heptane 44.44
    ethyl formate 722.54
    1,2-dichloroethane 2786.57
    n-hexanol 219.97
    2-methoxyethanol 884.36
    isobutyl acetate 466.33
    tetrachloromethane 410.4
    n-pentyl acetate 371.37
    transcutol 2500.51
    n-heptanol 114.01
    ethylbenzene 281.17
    MIBK 518.21
    2-propoxyethanol 557.6
    tert-butanol 531.95
    MTBE 799.77
    2-butoxyethanol 306.58
    propionic acid 523.67
    o-xylene 296.08
    formic acid 400.54
    diethyl ether 1042.32
    m-xylene 266.6
    p-xylene 371.84
    chlorobenzene 784.37
    dimethyl carbonate 511.03
    n-octane 24.94
    formamide 860.36
    cyclopentanone 1276.06
    2-pentanone 876.46
    anisole 669.25
    cyclopentyl methyl ether 667.26
    gamma-butyrolactone 1634.54
    1-methoxy-2-propanol 560.15
    pyridine 1068.29
    3-pentanone 830.24
    furfural 1320.04
    n-dodecane 21.35
    diethylene glycol 420.5
    diisopropyl ether 280.67
    tert-amyl alcohol 493.91
    acetylacetone 1354.62
    n-hexadecane 24.92
    acetophenone 661.42
    methyl propionate 908.3
    isopentyl acetate 654.96
    trichloroethylene 4440.0
    n-nonanol 129.49
    cyclohexanol 326.56
    benzyl alcohol 377.78
    2-ethylhexanol 192.72
    isooctanol 115.86
    dipropyl ether 364.74
    1,2-dichlorobenzene 850.74
    ethyl lactate 273.2
    propylene carbonate 894.88
    n-methylformamide 691.87
    2-pentanol 249.06
    n-pentane 53.87
    1-propoxy-2-propanol 385.32
    1-methoxy-2-propyl acetate 644.35
    2-(2-methoxypropoxy) propanol 420.79
    mesitylene 181.22
    ε-caprolactone 964.81
    p-cymene 157.2
    epichlorohydrin 2287.38
    1,1,1-trichloroethane 1922.97
    2-aminoethanol 198.39
    morpholine-4-carbaldehyde 1170.13
    sulfolane 1605.88
    2,2,4-trimethylpentane 49.08
    2-methyltetrahydrofuran 959.75
    n-hexyl acetate 502.27
    isooctane 32.18
    2-(2-butoxyethoxy)ethanol 536.8
    sec-butyl acetate 550.1
    tert-butyl acetate 779.66
    decalin 76.46
    glycerin 179.64
    diglyme 1208.34
    acrylic acid 503.42
    isopropyl myristate 193.32
    n-butyric acid 694.19
    acetyl acetate 1166.35
    di(2-ethylhexyl) phthalate 170.36
    ethyl propionate 760.18
    nitromethane 2836.55
    1,2-diethoxyethane 945.0
    benzonitrile 650.15
    trioctyl phosphate 116.96
    1-bromopropane 1047.95
    gamma-valerolactone 1449.5
    n-decanol 96.88
    triethyl phosphate 284.65
    4-methyl-2-pentanol 172.15
    propionitrile 907.14
    vinylene carbonate 840.16
    1,1,2-trichlorotrifluoroethane 1089.88
    DMS 630.25
    cumene 189.87
    2-octanol 94.3
    2-hexanone 686.47
    octyl acetate 231.75
    limonene 214.53
    1,2-dimethoxyethane 1448.73
    ethyl orthosilicate 263.23
    tributyl phosphate 200.79
    diacetone alcohol 565.51
    N,N-dimethylaniline 417.25
    acrylonitrile 1205.31
    aniline 403.18
    1,3-propanediol 315.79
    bromobenzene 970.47
    dibromomethane 2635.08
    1,1,2,2-tetrachloroethane 2983.58
    2-methyl-cyclohexyl acetate 387.85
    tetrabutyl urea 226.96
    diisobutyl methanol 134.74
    2-phenylethanol 307.59
    styrene 399.44
    dioctyl adipate 309.54
    dimethyl sulfate 790.51
    ethyl butyrate 625.21
    methyl lactate 300.39
    butyl lactate 264.86
    diethyl carbonate 484.26
    propanediol butyl ether 273.11
    triethyl orthoformate 369.86
    p-tert-butyltoluene 143.13
    methyl 4-tert-butylbenzoate 395.09
    morpholine 1195.54
    tert-butylamine 317.13
    n-dodecanol 77.69
    dimethoxymethane 1037.73
    ethylene carbonate 727.69
    cyrene 379.77
    2-ethoxyethyl acetate 634.75
    2-ethylhexyl acetate 521.65
    1,2,4-trichlorobenzene 881.98
    4-methylpyridine 946.14
    dibutyl ether 343.98
    2,6-dimethyl-4-heptanol 134.74
    DEF 993.93
    dimethyl isosorbide 746.61
    tetrachloroethylene 1895.36
    eugenol 364.8
    triacetin 582.57
    span 80 281.41
    1,4-butanediol 181.87
    1,1-dichloroethane 2026.31
    2-methyl-1-pentanol 332.66
    methyl formate 677.6
    2-methyl-1-butanol 308.18
    n-decane 34.0
    butyronitrile 759.62
    3,7-dimethyl-1-octanol 178.09
    1-chlorooctane 157.66
    1-chlorotetradecane 65.5
    n-nonane 32.59
    undecane 25.79
    tert-butylcyclohexane 65.26
    cyclooctane 41.2
    cyclopentanol 307.48
    tetrahydropyran 919.42
    tert-amyl methyl ether 598.61
    2,5,8-trioxanonane 796.31
    1-hexene 274.45
    2-isopropoxyethanol 551.44
    2,2,2-trifluoroethanol 462.45
    methyl butyrate 981.6

    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