(2-Formyloxy-2-phenylethyl) formate

  • Identifiers

    Molecular formula
    C10H10O4

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

  • Odor profile

    Fragrance
    Balsamic 38.2%
    Green 36.93%
    Fruity 33.08%
    Floral 31.69%
    Odorless 29.78%
    Sweet 29.55%
    Herbal 27.37%
    Honey 24.5%
    Fresh 23.55%
    Nutty 22.61%

     

    Flavor
    Floral 56.69%
    Fruity 56.31%
    Green 44.74%
    Bitter 40.15%
    Sweet 38.14%
    Rose 33.57%
    Balsam 31.19%
    Musty 27.1%
    Oily 25.92%
    Hyacinth 25.74%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    5.79 (weak acid)

    Molecular weight
    194.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    279°C

    Flash point

    • 139.74 ˚C est.

  • Synonyms

    • NSC50317
    • NSC-50317
  • Applications

    (2-Formyloxy-2-phenylethyl) formate is commonly used as a fragrance ingredient and fixative in perfumery and cosmetics; it may be employed as a fragrance additive in household products to impart lasting aroma; it can function as a solvent or processing diluent in coatings and inks; and it serves as an organic intermediate in industrial manufacturing, including polymer and plastics synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 44.65
    methanol 104.79
    isopropanol 17.73
    water 1.3
    ethyl acetate 102.81
    n-propanol 25.44
    acetone 161.38
    n-butanol 17.05
    acetonitrile 119.76
    DMF 372.52
    toluene 25.26
    isobutanol 14.46
    1,4-dioxane 112.73
    methyl acetate 133.48
    THF 141.82
    2-butanone 105.86
    n-pentanol 16.44
    sec-butanol 16.68
    n-hexane 0.65
    ethylene glycol 49.83
    NMP 289.23
    cyclohexane 2.23
    DMSO 859.52
    n-butyl acetate 45.83
    n-octanol 9.4
    chloroform 113.59
    n-propyl acetate 61.42
    acetic acid 144.25
    dichloromethane 226.81
    cyclohexanone 119.34
    propylene glycol 21.63
    isopropyl acetate 43.73
    DMAc 359.55
    2-ethoxyethanol 100.0
    isopentanol 18.61
    n-heptane 1.56
    ethyl formate 60.82
    1,2-dichloroethane 219.82
    n-hexanol 18.1
    2-methoxyethanol 155.59
    isobutyl acetate 25.17
    tetrachloromethane 10.15
    n-pentyl acetate 19.34
    transcutol 343.3
    n-heptanol 9.6
    ethylbenzene 17.91
    MIBK 39.12
    2-propoxyethanol 60.47
    tert-butanol 39.95
    MTBE 26.73
    2-butoxyethanol 34.61
    propionic acid 69.49
    o-xylene 27.48
    formic acid 149.72
    diethyl ether 33.26
    m-xylene 20.25
    p-xylene 21.29
    chlorobenzene 49.49
    dimethyl carbonate 77.8
    n-octane 0.74
    formamide 401.57
    cyclopentanone 191.42
    2-pentanone 64.1
    anisole 62.91
    cyclopentyl methyl ether 55.68
    gamma-butyrolactone 271.11
    1-methoxy-2-propanol 76.27
    pyridine 148.6
    3-pentanone 62.49
    furfural 225.23
    n-dodecane 0.81
    diethylene glycol 86.81
    diisopropyl ether 8.77
    tert-amyl alcohol 32.99
    acetylacetone 128.33
    n-hexadecane 0.94
    acetophenone 79.03
    methyl propionate 107.77
    isopentyl acetate 38.36
    trichloroethylene 334.27
    n-nonanol 9.46
    cyclohexanol 22.9
    benzyl alcohol 52.27
    2-ethylhexanol 14.45
    isooctanol 9.27
    dipropyl ether 19.35
    1,2-dichlorobenzene 55.58
    ethyl lactate 39.51
    propylene carbonate 113.96
    n-methylformamide 216.57
    2-pentanol 11.48
    n-pentane 0.66
    1-propoxy-2-propanol 38.05
    1-methoxy-2-propyl acetate 61.24
    2-(2-methoxypropoxy) propanol 59.31
    mesitylene 12.97
    ε-caprolactone 95.86
    p-cymene 13.45
    epichlorohydrin 296.53
    1,1,1-trichloroethane 68.38
    2-aminoethanol 50.57
    morpholine-4-carbaldehyde 210.7
    sulfolane 385.62
    2,2,4-trimethylpentane 1.13
    2-methyltetrahydrofuran 82.84
    n-hexyl acetate 27.03
    isooctane 0.78
    2-(2-butoxyethoxy)ethanol 67.06
    sec-butyl acetate 34.59
    tert-butyl acetate 49.25
    decalin 2.59
    glycerin 62.26
    diglyme 172.72
    acrylic acid 98.41
    isopropyl myristate 12.87
    n-butyric acid 55.02
    acetyl acetate 73.2
    di(2-ethylhexyl) phthalate 17.98
    ethyl propionate 58.75
    nitromethane 497.16
    1,2-diethoxyethane 54.29
    benzonitrile 60.1
    trioctyl phosphate 11.11
    1-bromopropane 38.97
    gamma-valerolactone 192.71
    n-decanol 7.59
    triethyl phosphate 31.25
    4-methyl-2-pentanol 9.79
    propionitrile 59.65
    vinylene carbonate 105.6
    1,1,2-trichlorotrifluoroethane 203.01
    DMS 65.25
    cumene 12.68
    2-octanol 5.65
    2-hexanone 45.05
    octyl acetate 16.24
    limonene 18.08
    1,2-dimethoxyethane 146.57
    ethyl orthosilicate 24.85
    tributyl phosphate 16.09
    diacetone alcohol 74.77
    N,N-dimethylaniline 45.24
    acrylonitrile 127.68
    aniline 51.35
    1,3-propanediol 51.94
    bromobenzene 44.94
    dibromomethane 105.13
    1,1,2,2-tetrachloroethane 216.32
    2-methyl-cyclohexyl acetate 35.59
    tetrabutyl urea 25.5
    diisobutyl methanol 10.59
    2-phenylethanol 38.09
    styrene 25.43
    dioctyl adipate 26.89
    dimethyl sulfate 166.6
    ethyl butyrate 44.79
    methyl lactate 62.97
    butyl lactate 24.37
    diethyl carbonate 39.98
    propanediol butyl ether 34.67
    triethyl orthoformate 31.26
    p-tert-butyltoluene 11.9
    methyl 4-tert-butylbenzoate 50.54
    morpholine 131.77
    tert-butylamine 15.88
    n-dodecanol 6.2
    dimethoxymethane 139.17
    ethylene carbonate 77.28
    cyrene 75.14
    2-ethoxyethyl acetate 46.12
    2-ethylhexyl acetate 29.32
    1,2,4-trichlorobenzene 74.73
    4-methylpyridine 92.2
    dibutyl ether 14.16
    2,6-dimethyl-4-heptanol 10.59
    DEF 119.39
    dimethyl isosorbide 108.14
    tetrachloroethylene 135.04
    eugenol 50.45
    triacetin 60.8
    span 80 35.22
    1,4-butanediol 24.91
    1,1-dichloroethane 81.77
    2-methyl-1-pentanol 19.47
    methyl formate 159.69
    2-methyl-1-butanol 16.91
    n-decane 1.2
    butyronitrile 35.43
    3,7-dimethyl-1-octanol 12.39
    1-chlorooctane 6.71
    1-chlorotetradecane 3.26
    n-nonane 0.99
    undecane 0.96
    tert-butylcyclohexane 1.86
    cyclooctane 1.03
    cyclopentanol 29.29
    tetrahydropyran 59.99
    tert-amyl methyl ether 27.22
    2,5,8-trioxanonane 118.17
    1-hexene 4.58
    2-isopropoxyethanol 56.82
    2,2,2-trifluoroethanol 97.94
    methyl butyrate 75.26

    Scent© AI

1 of 4
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