Benzoic acid, 2-hydroxy-, 2-furanylmethyl ester

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  • Identifiers

    CAS number
    25485-89-6

    Molecular formula
    C12H10O4

    SMILES
    C1=CC=C(C(=C1)C(=O)OCC2=CC=CO2)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 64.59%
    Balsamic 53.68%
    Floral 45.22%
    Herbal 41.54%
    Phenolic 39.54%
    Spicy 36.93%
    Aromatic 35.62%
    Green 35.14%
    Woody 33.43%
    Fruity 31.45%

     

    Flavor
    Sweet 53.69%
    Herbal 43.47%
    Balsam 40.87%
    Bitter 38.81%
    Fruity 36.16%
    Tobacco 33.66%
    Wintergreen 33.29%
    Powdery 31.06%
    Balsamic 29.32%
    Grape 28.93%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    6.89 (neutral)

    Molecular weight
    218.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    298°C

    Flash point

    • 159.44 ˚C est.

  • Synonyms

    • Furfuryl salicylate
    • Furfuryl alcohol, salicylate
    • 25485-89-6
    • Salicylic acid, furfuryl ester
    • Salicylic acid, 2-furfuryl ester
    • Benzoic acid, 2-hydroxy-, 2-furanylmethyl ester
    • DTXSID50180169
    • Benzoic acid, 2-hydroxy-, 2-furanylmethyl ester (9CI)
    • Salicylic acid, furfuryl ester (8CI)
    • RefChem:118356
    • DTXCID10102660
    • furan-2-ylmethyl 2-hydroxybenzoate
    • (furan-2-yl)methyl 2-hydroxybenzoate
    • SCHEMBL17010758
    • 25485-89-6

  • Applications

    Benzoic acid, 2-hydroxy-, 2-furanylmethyl ester is primarily used as a fragrance ingredient and aroma chemical in perfumery and cosmetics, often serving as an intermediate in the synthesis of more complex scent compounds. It may be employed in household products such as air fresheners and cleaners to impart a characteristic fragrance, and can function as an aroma component in flavor applications where permitted by regulation. In industrial manufacturing, it is treated as a specialty fragrance intermediate and can be used in coatings, inks, and polymer-related formulations where aroma performance is desired. CAS number: 25485-89-6

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 95.25
    methanol 156.69
    isopropanol 79.08
    water 0.06
    ethyl acetate 123.85
    n-propanol 85.68
    acetone 233.9
    n-butanol 72.99
    acetonitrile 137.64
    DMF 221.99
    toluene 30.42
    isobutanol 56.12
    1,4-dioxane 240.57
    methyl acetate 183.41
    THF 551.96
    2-butanone 255.21
    n-pentanol 51.37
    sec-butanol 109.4
    n-hexane 0.41
    ethylene glycol 34.97
    NMP 100.02
    cyclohexane 1.12
    DMSO 727.82
    n-butyl acetate 51.11
    n-octanol 17.8
    chloroform 78.86
    n-propyl acetate 61.84
    acetic acid 79.89
    dichloromethane 80.34
    cyclohexanone 130.7
    propylene glycol 69.02
    isopropyl acetate 67.99
    DMAc 467.01
    2-ethoxyethanol 179.05
    isopentanol 83.07
    n-heptane 0.86
    ethyl formate 49.72
    1,2-dichloroethane 94.44
    n-hexanol 39.53
    2-methoxyethanol 358.8
    isobutyl acetate 34.16
    tetrachloromethane 3.5
    n-pentyl acetate 22.16
    transcutol 528.65
    n-heptanol 17.95
    ethylbenzene 15.84
    MIBK 87.96
    2-propoxyethanol 120.49
    tert-butanol 185.71
    MTBE 117.22
    2-butoxyethanol 55.33
    propionic acid 66.95
    o-xylene 20.51
    formic acid 42.66
    diethyl ether 79.68
    m-xylene 17.14
    p-xylene 20.61
    chlorobenzene 27.97
    dimethyl carbonate 66.98
    n-octane 0.51
    formamide 169.93
    cyclopentanone 172.17
    2-pentanone 130.35
    anisole 80.47
    cyclopentyl methyl ether 94.66
    gamma-butyrolactone 175.75
    1-methoxy-2-propanol 251.6
    pyridine 128.25
    3-pentanone 102.99
    furfural 129.25
    n-dodecane 1.24
    diethylene glycol 123.66
    diisopropyl ether 16.79
    tert-amyl alcohol 171.45
    acetylacetone 167.68
    n-hexadecane 1.46
    acetophenone 72.87
    methyl propionate 119.77
    isopentyl acetate 52.25
    trichloroethylene 169.02
    n-nonanol 19.12
    cyclohexanol 67.63
    benzyl alcohol 62.38
    2-ethylhexanol 26.95
    isooctanol 18.39
    dipropyl ether 26.57
    1,2-dichlorobenzene 27.62
    ethyl lactate 46.09
    propylene carbonate 72.49
    n-methylformamide 110.67
    2-pentanol 62.05
    n-pentane 0.37
    1-propoxy-2-propanol 80.4
    1-methoxy-2-propyl acetate 84.5
    2-(2-methoxypropoxy) propanol 104.26
    mesitylene 11.19
    ε-caprolactone 94.95
    p-cymene 12.75
    epichlorohydrin 286.25
    1,1,1-trichloroethane 47.42
    2-aminoethanol 80.52
    morpholine-4-carbaldehyde 178.59
    sulfolane 244.96
    2,2,4-trimethylpentane 2.07
    2-methyltetrahydrofuran 190.34
    n-hexyl acetate 36.97
    isooctane 1.33
    2-(2-butoxyethoxy)ethanol 127.1
    sec-butyl acetate 48.16
    tert-butyl acetate 89.55
    decalin 2.14
    glycerin 111.68
    diglyme 225.97
    acrylic acid 62.62
    isopropyl myristate 22.2
    n-butyric acid 68.58
    acetyl acetate 58.13
    di(2-ethylhexyl) phthalate 22.17
    ethyl propionate 62.4
    nitromethane 263.72
    1,2-diethoxyethane 89.08
    benzonitrile 52.53
    trioctyl phosphate 15.15
    1-bromopropane 29.05
    gamma-valerolactone 183.47
    n-decanol 15.93
    triethyl phosphate 31.04
    4-methyl-2-pentanol 39.47
    propionitrile 96.3
    vinylene carbonate 57.58
    1,1,2-trichlorotrifluoroethane 144.46
    DMS 56.47
    cumene 12.13
    2-octanol 12.17
    2-hexanone 72.89
    octyl acetate 24.94
    limonene 18.57
    1,2-dimethoxyethane 257.41
    ethyl orthosilicate 27.93
    tributyl phosphate 21.33
    diacetone alcohol 158.1
    N,N-dimethylaniline 47.07
    acrylonitrile 127.88
    aniline 58.26
    1,3-propanediol 130.92
    bromobenzene 22.94
    dibromomethane 38.25
    1,1,2,2-tetrachloroethane 129.5
    2-methyl-cyclohexyl acetate 40.38
    tetrabutyl urea 33.09
    diisobutyl methanol 20.91
    2-phenylethanol 49.89
    styrene 21.39
    dioctyl adipate 35.98
    dimethyl sulfate 122.9
    ethyl butyrate 43.52
    methyl lactate 82.21
    butyl lactate 31.03
    diethyl carbonate 35.49
    propanediol butyl ether 59.49
    triethyl orthoformate 36.49
    p-tert-butyltoluene 12.73
    methyl 4-tert-butylbenzoate 56.97
    morpholine 310.61
    tert-butylamine 63.29
    n-dodecanol 13.14
    dimethoxymethane 247.88
    ethylene carbonate 49.43
    cyrene 82.2
    2-ethoxyethyl acetate 48.57
    2-ethylhexyl acetate 34.88
    1,2,4-trichlorobenzene 40.6
    4-methylpyridine 93.63
    dibutyl ether 26.29
    2,6-dimethyl-4-heptanol 20.91
    DEF 125.16
    dimethyl isosorbide 131.72
    tetrachloroethylene 56.3
    eugenol 58.66
    triacetin 61.95
    span 80 54.25
    1,4-butanediol 36.14
    1,1-dichloroethane 61.72
    2-methyl-1-pentanol 61.41
    methyl formate 81.5
    2-methyl-1-butanol 77.07
    n-decane 1.54
    butyronitrile 63.93
    3,7-dimethyl-1-octanol 28.98
    1-chlorooctane 9.48
    1-chlorotetradecane 5.4
    n-nonane 1.08
    undecane 1.38
    tert-butylcyclohexane 1.97
    cyclooctane 0.5
    cyclopentanol 65.73
    tetrahydropyran 158.87
    tert-amyl methyl ether 94.54
    2,5,8-trioxanonane 182.91
    1-hexene 5.02
    2-isopropoxyethanol 108.53
    2,2,2-trifluoroethanol 35.01
    methyl butyrate 75.81

    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