2-Methoxyphenyl 2-phenylbutyrate

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  • Identifiers

    CAS number
    40893-04-7

    Molecular formula
    C17H18O3

    SMILES
    CCC(C1=CC=CC=C1)C(=O)OC2=CC=CC=C2OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 63.54%
    Fruity 60.26%
    Balsamic 59.38%
    Floral 55.3%
    Spicy 52.12%
    Honey 45.08%
    Vanilla 38.49%
    Powdery 38.34%
    Woody 37.6%
    Berry 35.31%

     

    Flavor
    Sweet 36.88%
    Floral 35.33%
    Bitter 33.5%
    Balsam 32.83%
    Fruity 29.33%
    Honey 27.8%
    Waxy 25.49%
    Rose 24.91%
    Herbal 24.66%
    Mild 24.18%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    7.77 (neutral)

    Molecular weight
    270.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    338°C

    Flash point

    • 151.62 ˚C est.

  • Synonyms

    • 2-Methoxyphenyl 2-phenylbutyrate
    • 40893-04-7
    • EINECS 255-132-3
    • 2-METHOXYPHENYL 2-PHENYLBUTANOATE
    • SCHEMBL27508781
    • DTXSID30961291
    • REXUDYYWQZRUFM-UHFFFAOYSA-N
    • NS00056966
    • 40893-04-7

  • Applications

    2-Methoxyphenyl 2-phenylbutyrate (CAS 40893-04-7) is an ester commonly employed in perfumery as an aroma chemical and odorant, with potential to function as a minor fragrance fixative in certain formulations. It is also used as a fragrance ingredient in cosmetics and personal care products and may appear in household fragranced products such as air fresheners or cleaning formulations. In industrial manufacturing, it can serve as an intermediate for the synthesis of other fragrant esters and specialty aroma compounds. In coatings, inks, and adhesives, it may be used as a fragrance additive or scent-release component within formulated products. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 339.16
    methanol 482.74
    isopropanol 170.92
    water 0.3
    ethyl acetate 1374.08
    n-propanol 301.81
    acetone 1697.31
    n-butanol 274.17
    acetonitrile 1535.44
    DMF 1659.19
    toluene 664.59
    isobutanol 207.06
    1,4-dioxane 1181.03
    methyl acetate 1166.41
    THF 1326.65
    2-butanone 1135.12
    n-pentanol 160.77
    sec-butanol 206.32
    n-hexane 26.39
    ethylene glycol 54.54
    NMP 1140.96
    cyclohexane 118.36
    DMSO 1284.72
    n-butyl acetate 522.53
    n-octanol 63.67
    chloroform 4075.7
    n-propyl acetate 536.63
    acetic acid 737.84
    dichloromethane 5669.32
    cyclohexanone 1623.02
    propylene glycol 61.32
    isopropyl acetate 531.55
    DMAc 1211.32
    2-ethoxyethanol 342.16
    isopentanol 236.79
    n-heptane 17.0
    ethyl formate 584.88
    1,2-dichloroethane 4607.21
    n-hexanol 150.07
    2-methoxyethanol 671.69
    isobutyl acetate 278.28
    tetrachloromethane 253.97
    n-pentyl acetate 256.91
    transcutol 1127.09
    n-heptanol 77.64
    ethylbenzene 219.39
    MIBK 401.77
    2-propoxyethanol 356.24
    tert-butanol 248.39
    MTBE 396.67
    2-butoxyethanol 198.49
    propionic acid 476.58
    o-xylene 257.98
    formic acid 199.71
    diethyl ether 954.06
    m-xylene 266.78
    p-xylene 263.83
    chlorobenzene 1261.58
    dimethyl carbonate 608.25
    n-octane 9.36
    formamide 679.16
    cyclopentanone 1775.3
    2-pentanone 931.71
    anisole 531.53
    cyclopentyl methyl ether 647.06
    gamma-butyrolactone 1896.77
    1-methoxy-2-propanol 378.56
    pyridine 1872.43
    3-pentanone 880.34
    furfural 1396.64
    n-dodecane 8.61
    diethylene glycol 253.92
    diisopropyl ether 146.87
    tert-amyl alcohol 226.19
    acetylacetone 1160.83
    n-hexadecane 10.42
    acetophenone 487.92
    methyl propionate 1049.69
    isopentyl acetate 388.29
    trichloroethylene 6106.11
    n-nonanol 64.29
    cyclohexanol 367.68
    benzyl alcohol 317.3
    2-ethylhexanol 106.15
    isooctanol 69.85
    dipropyl ether 192.9
    1,2-dichlorobenzene 949.43
    ethyl lactate 165.35
    propylene carbonate 838.09
    n-methylformamide 842.31
    2-pentanol 162.14
    n-pentane 24.62
    1-propoxy-2-propanol 214.4
    1-methoxy-2-propyl acetate 421.0
    2-(2-methoxypropoxy) propanol 191.29
    mesitylene 139.82
    ε-caprolactone 1041.98
    p-cymene 87.69
    epichlorohydrin 2770.72
    1,1,1-trichloroethane 1940.5
    2-aminoethanol 125.55
    morpholine-4-carbaldehyde 945.73
    sulfolane 1636.36
    2,2,4-trimethylpentane 19.2
    2-methyltetrahydrofuran 851.04
    n-hexyl acetate 296.66
    isooctane 13.22
    2-(2-butoxyethoxy)ethanol 266.06
    sec-butyl acetate 323.48
    tert-butyl acetate 498.25
    decalin 41.37
    glycerin 108.17
    diglyme 760.03
    acrylic acid 499.33
    isopropyl myristate 107.49
    n-butyric acid 698.22
    acetyl acetate 825.54
    di(2-ethylhexyl) phthalate 97.96
    ethyl propionate 494.72
    nitromethane 2257.32
    1,2-diethoxyethane 505.28
    benzonitrile 579.51
    trioctyl phosphate 66.47
    1-bromopropane 1252.57
    gamma-valerolactone 1619.19
    n-decanol 48.45
    triethyl phosphate 157.75
    4-methyl-2-pentanol 96.77
    propionitrile 864.45
    vinylene carbonate 899.86
    1,1,2-trichlorotrifluoroethane 1037.47
    DMS 452.55
    cumene 107.32
    2-octanol 54.0
    2-hexanone 433.33
    octyl acetate 135.65
    limonene 128.24
    1,2-dimethoxyethane 798.0
    ethyl orthosilicate 140.4
    tributyl phosphate 98.94
    diacetone alcohol 382.48
    N,N-dimethylaniline 223.61
    acrylonitrile 1272.78
    aniline 666.54
    1,3-propanediol 240.34
    bromobenzene 1439.55
    dibromomethane 3094.55
    1,1,2,2-tetrachloroethane 3878.88
    2-methyl-cyclohexyl acetate 220.32
    tetrabutyl urea 126.81
    diisobutyl methanol 71.94
    2-phenylethanol 263.61
    styrene 379.12
    dioctyl adipate 174.84
    dimethyl sulfate 725.64
    ethyl butyrate 348.58
    methyl lactate 272.52
    butyl lactate 153.89
    diethyl carbonate 276.38
    propanediol butyl ether 118.65
    triethyl orthoformate 210.94
    p-tert-butyltoluene 79.97
    methyl 4-tert-butylbenzoate 246.67
    morpholine 1245.82
    tert-butylamine 139.37
    n-dodecanol 39.78
    dimethoxymethane 1070.27
    ethylene carbonate 762.97
    cyrene 233.48
    2-ethoxyethyl acetate 407.31
    2-ethylhexyl acetate 303.29
    1,2,4-trichlorobenzene 977.38
    4-methylpyridine 1321.94
    dibutyl ether 166.16
    2,6-dimethyl-4-heptanol 71.94
    DEF 1059.15
    dimethyl isosorbide 418.52
    tetrachloroethylene 2156.27
    eugenol 218.85
    triacetin 320.97
    span 80 143.06
    1,4-butanediol 75.52
    1,1-dichloroethane 2539.21
    2-methyl-1-pentanol 173.1
    methyl formate 748.05
    2-methyl-1-butanol 234.13
    n-decane 13.25
    butyronitrile 706.66
    3,7-dimethyl-1-octanol 81.62
    1-chlorooctane 85.19
    1-chlorotetradecane 35.34
    n-nonane 11.77
    undecane 10.13
    tert-butylcyclohexane 28.94
    cyclooctane 26.87
    cyclopentanol 314.53
    tetrahydropyran 1210.32
    tert-amyl methyl ether 282.86
    2,5,8-trioxanonane 419.24
    1-hexene 131.7
    2-isopropoxyethanol 220.58
    2,2,2-trifluoroethanol 305.42
    methyl butyrate 662.54

    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