2-Phenoxyethyl butanoate

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  • Identifiers

    CAS number
    23511-70-8

    Molecular formula
    C12H16O3

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

  • Odor profile

    Fragrance
    Fruity 87.95%
    Floral 68.63%
    Sweet 53.91%
    Honey 46.63%
    Rose 45.61%
    Green 35.18%
    Balsamic 34.58%
    Apple 33.03%
    Pineapple 32.77%
    Tropical 31.13%

     

    Flavor
    Fruity 78.01%
    Sweet 57.9%
    Floral 50.59%
    Balsam 49.29%
    Pineapple 44.21%
    Apricot 41.75%
    Rose 41.51%
    Fruit 38.87%
    Peach 37.23%
    Berry 36.47%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    7.26 (neutral)

    Molecular weight
    208.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    282°C

    Flash point

    • 130.06 ˚C est.

  • Synonyms

    • 2-Phenoxyethyl butyrate
    • 23511-70-8
    • 2-phenoxyethyl butanoate
    • Butanoic acid, 2-phenoxyethyl ester
    • Butyric acid, 2-phenoxyethyl ester
    • 9M1F95E6EN
    • EINECS 245-705-6
    • NSC 403864
    • NSC-403864
    • AI3-02110
    • DTXSID5066902
    • ETHANOL, 2-PHENOXY-, BUTYRATE
    • 2-Phenoxyethylbutyrate
    • UNII-9M1F95E6EN
    • SCHEMBL3640377
    • DTXCID6036889
    • OOZDRLVUFHSKIQ-UHFFFAOYSA-N
    • NSC403864
    • AKOS015890740
    • LS-14100
    • NS00021898
    • 245-705-6

  • Applications

    2-Phenoxyethyl butanoate (CAS 23511-70-8) is commonly used as a fragrance ingredient and fixative in perfumery, helping to impart and prolong aroma in fragrances and personal care products; it also serves as a solvent or carrier for fragrance components in cosmetics and household cleaning formulations; additionally, it is used as a fragrance additive in cleaning product formulations and development; and it can function as an intermediate in fragrance synthesis and formulation work.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 412.62
    methanol 730.85
    isopropanol 218.01
    water 0.78
    ethyl acetate 1013.37
    n-propanol 276.2
    acetone 1595.91
    n-butanol 247.01
    acetonitrile 1764.92
    DMF 1244.84
    toluene 289.98
    isobutanol 192.34
    1,4-dioxane 977.16
    methyl acetate 835.59
    THF 1015.32
    2-butanone 901.28
    n-pentanol 229.01
    sec-butanol 215.73
    n-hexane 43.84
    ethylene glycol 108.03
    NMP 974.01
    cyclohexane 69.26
    DMSO 3294.44
    n-butyl acetate 640.29
    n-octanol 106.65
    chloroform 2827.78
    n-propyl acetate 602.89
    acetic acid 1059.52
    dichloromethane 4304.97
    cyclohexanone 1030.67
    propylene glycol 99.83
    isopropyl acetate 400.36
    DMAc 1127.2
    2-ethoxyethanol 527.19
    isopentanol 234.55
    n-heptane 24.89
    ethyl formate 499.45
    1,2-dichloroethane 2685.44
    n-hexanol 175.22
    2-methoxyethanol 682.14
    isobutyl acetate 285.26
    tetrachloromethane 210.03
    n-pentyl acetate 263.15
    transcutol 2242.84
    n-heptanol 77.28
    ethylbenzene 185.23
    MIBK 314.55
    2-propoxyethanol 398.09
    tert-butanol 347.93
    MTBE 399.8
    2-butoxyethanol 207.65
    propionic acid 505.6
    o-xylene 182.89
    formic acid 334.38
    diethyl ether 620.57
    m-xylene 172.69
    p-xylene 236.3
    chlorobenzene 690.89
    dimethyl carbonate 325.82
    n-octane 12.11
    formamide 755.11
    cyclopentanone 1171.77
    2-pentanone 630.27
    anisole 466.75
    cyclopentyl methyl ether 440.9
    gamma-butyrolactone 1438.1
    1-methoxy-2-propanol 393.54
    pyridine 1086.41
    3-pentanone 562.73
    furfural 1158.8
    n-dodecane 12.49
    diethylene glycol 347.81
    diisopropyl ether 122.42
    tert-amyl alcohol 314.42
    acetylacetone 946.6
    n-hexadecane 14.79
    acetophenone 472.97
    methyl propionate 618.36
    isopentyl acetate 449.62
    trichloroethylene 3941.69
    n-nonanol 96.35
    cyclohexanol 267.7
    benzyl alcohol 303.1
    2-ethylhexanol 135.51
    isooctanol 72.56
    dipropyl ether 249.09
    1,2-dichlorobenzene 672.87
    ethyl lactate 209.7
    propylene carbonate 696.67
    n-methylformamide 661.12
    2-pentanol 161.55
    n-pentane 27.59
    1-propoxy-2-propanol 283.58
    1-methoxy-2-propyl acetate 433.13
    2-(2-methoxypropoxy) propanol 324.26
    mesitylene 110.79
    ε-caprolactone 800.01
    p-cymene 105.55
    epichlorohydrin 1847.83
    1,1,1-trichloroethane 1279.59
    2-aminoethanol 186.91
    morpholine-4-carbaldehyde 894.57
    sulfolane 1723.91
    2,2,4-trimethylpentane 23.78
    2-methyltetrahydrofuran 675.16
    n-hexyl acetate 360.57
    isooctane 14.96
    2-(2-butoxyethoxy)ethanol 420.84
    sec-butyl acetate 323.55
    tert-butyl acetate 398.22
    decalin 47.48
    glycerin 184.86
    diglyme 915.91
    acrylic acid 499.24
    isopropyl myristate 140.49
    n-butyric acid 623.36
    acetyl acetate 683.52
    di(2-ethylhexyl) phthalate 132.47
    ethyl propionate 489.93
    nitromethane 2667.35
    1,2-diethoxyethane 679.63
    benzonitrile 546.98
    trioctyl phosphate 87.75
    1-bromopropane 899.09
    gamma-valerolactone 1198.73
    n-decanol 70.3
    triethyl phosphate 207.72
    4-methyl-2-pentanol 99.36
    propionitrile 736.91
    vinylene carbonate 699.06
    1,1,2-trichlorotrifluoroethane 959.33
    DMS 453.05
    cumene 117.13
    2-octanol 63.87
    2-hexanone 487.89
    octyl acetate 174.41
    limonene 152.74
    1,2-dimethoxyethane 968.47
    ethyl orthosilicate 180.16
    tributyl phosphate 155.26
    diacetone alcohol 370.04
    N,N-dimethylaniline 270.28
    acrylonitrile 1055.22
    aniline 361.06
    1,3-propanediol 264.75
    bromobenzene 850.16
    dibromomethane 2484.4
    1,1,2,2-tetrachloroethane 2619.0
    2-methyl-cyclohexyl acetate 286.61
    tetrabutyl urea 196.81
    diisobutyl methanol 86.85
    2-phenylethanol 230.8
    styrene 295.03
    dioctyl adipate 245.51
    dimethyl sulfate 614.09
    ethyl butyrate 441.54
    methyl lactate 233.54
    butyl lactate 210.94
    diethyl carbonate 351.55
    propanediol butyl ether 225.46
    triethyl orthoformate 258.48
    p-tert-butyltoluene 92.31
    methyl 4-tert-butylbenzoate 286.05
    morpholine 957.02
    tert-butylamine 206.32
    n-dodecanol 56.44
    dimethoxymethane 676.11
    ethylene carbonate 558.7
    cyrene 296.49
    2-ethoxyethyl acetate 442.99
    2-ethylhexyl acetate 350.86
    1,2,4-trichlorobenzene 694.76
    4-methylpyridine 857.27
    dibutyl ether 249.42
    2,6-dimethyl-4-heptanol 86.85
    DEF 763.71
    dimethyl isosorbide 543.22
    tetrachloroethylene 1502.8
    eugenol 284.22
    triacetin 443.72
    span 80 234.38
    1,4-butanediol 145.36
    1,1-dichloroethane 1626.84
    2-methyl-1-pentanol 231.69
    methyl formate 564.86
    2-methyl-1-butanol 218.8
    n-decane 19.83
    butyronitrile 621.84
    3,7-dimethyl-1-octanol 121.75
    1-chlorooctane 109.02
    1-chlorotetradecane 44.58
    n-nonane 18.66
    undecane 15.04
    tert-butylcyclohexane 37.32
    cyclooctane 20.7
    cyclopentanol 276.12
    tetrahydropyran 727.15
    tert-amyl methyl ether 297.31
    2,5,8-trioxanonane 627.56
    1-hexene 197.81
    2-isopropoxyethanol 335.99
    2,2,2-trifluoroethanol 332.33
    methyl butyrate 713.63

    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