Formic acid, 4-methylphenyl ester

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1864-97-7

    Molecular formula
    C8H8O2

    SMILES
    CC1=CC=C(C=C1)OC=O

  • Odor profile

    Fragrance
    Floral 64.05%
    Phenolic 51.12%
    Sweet 49.94%
    Fruity 39.81%
    Green 37.94%
    Cherry 37.44%
    Anisic 35.33%
    Aromatic 34.5%
    Animal 34.26%
    Herbal 33.83%

     

    Flavor
    Sweet 76.19%
    Cherry 49.9%
    Floral 49.65%
    Almond 46.58%
    Vanilla 45.51%
    Spicy 43.71%
    Phenolic 42.68%
    Bitter 42.36%
    Balsam 40.78%
    Cinnamon 39.95%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    7.85 (neutral)

    Molecular weight
    136.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    209°C

    Flash point

    • 79.51 ˚C est.

  • Synonyms

    • Formic acid, 4-methylphenyl ester
    • (4-methylphenyl) formate
    • 1864-97-7
    • 4-Methylphenyl formate
    • p-Cresyl formate
    • EINECS 217-472-0
    • DTXSID3062025
    • p-tolyl formate
    • para-cresyl formate
    • SHP5D66GEM
    • SCHEMBL95902
    • DTXCID3035890
    • NEIANUMOAXBNRT-UHFFFAOYSA-N
    • NS00026103
    • Q63409855

  • Applications

    p-Tolyl formate (formic acid, 4-methylphenyl ester; CAS 1864-97-7) is primarily used as a fragrance ingredient and fixative in perfumery, providing light, floral notes and helping stabilize volatile components. It is also employed as a solvent or processing aid in coatings, inks, and adhesives, offering moderate polarity and volatility suitable for formulation work. In organic synthesis, it serves as a chemical intermediate for the preparation of aryl formates and other derivatives, supporting the manufacture of specialty chemicals. Additionally, it may be used as a reagent or solvent in R&D workflows within chemical synthesis, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 345.28
    methanol 449.7
    isopropanol 169.58
    water 0.71
    ethyl acetate 412.41
    n-propanol 245.52
    acetone 436.19
    n-butanol 175.18
    acetonitrile 479.22
    DMF 838.45
    toluene 157.96
    isobutanol 127.31
    1,4-dioxane 567.9
    methyl acetate 596.93
    THF 449.42
    2-butanone 504.61
    n-pentanol 129.29
    sec-butanol 177.1
    n-hexane 6.15
    ethylene glycol 128.65
    NMP 487.8
    cyclohexane 8.14
    DMSO 882.44
    n-butyl acetate 176.55
    n-octanol 45.22
    chloroform 407.34
    n-propyl acetate 191.99
    acetic acid 251.48
    dichloromethane 476.17
    cyclohexanone 303.96
    propylene glycol 146.09
    isopropyl acetate 136.77
    DMAc 653.27
    2-ethoxyethanol 329.71
    isopentanol 134.25
    n-heptane 5.07
    ethyl formate 243.17
    1,2-dichloroethane 403.18
    n-hexanol 115.85
    2-methoxyethanol 592.98
    isobutyl acetate 80.51
    tetrachloromethane 42.9
    n-pentyl acetate 66.84
    transcutol 1187.7
    n-heptanol 41.84
    ethylbenzene 85.37
    MIBK 115.7
    2-propoxyethanol 259.99
    tert-butanol 194.67
    MTBE 165.93
    2-butoxyethanol 125.82
    propionic acid 269.78
    o-xylene 94.1
    formic acid 196.09
    diethyl ether 216.73
    m-xylene 81.64
    p-xylene 89.76
    chlorobenzene 195.1
    dimethyl carbonate 178.94
    n-octane 1.61
    formamide 510.63
    cyclopentanone 374.85
    2-pentanone 262.48
    anisole 280.81
    cyclopentyl methyl ether 176.88
    gamma-butyrolactone 491.82
    1-methoxy-2-propanol 317.67
    pyridine 539.11
    3-pentanone 215.14
    furfural 525.23
    n-dodecane 1.5
    diethylene glycol 262.47
    diisopropyl ether 36.15
    tert-amyl alcohol 183.94
    acetylacetone 297.97
    n-hexadecane 1.79
    acetophenone 218.36
    methyl propionate 361.14
    isopentyl acetate 134.98
    trichloroethylene 766.26
    n-nonanol 37.75
    cyclohexanol 104.85
    benzyl alcohol 192.15
    2-ethylhexanol 65.38
    isooctanol 33.78
    dipropyl ether 67.02
    1,2-dichlorobenzene 170.76
    ethyl lactate 94.55
    propylene carbonate 244.86
    n-methylformamide 567.2
    2-pentanol 98.24
    n-pentane 5.61
    1-propoxy-2-propanol 159.86
    1-methoxy-2-propyl acetate 196.62
    2-(2-methoxypropoxy) propanol 174.87
    mesitylene 39.94
    ε-caprolactone 285.42
    p-cymene 35.23
    epichlorohydrin 735.78
    1,1,1-trichloroethane 232.4
    2-aminoethanol 237.27
    morpholine-4-carbaldehyde 566.82
    sulfolane 535.19
    2,2,4-trimethylpentane 4.84
    2-methyltetrahydrofuran 336.88
    n-hexyl acetate 112.75
    isooctane 3.41
    2-(2-butoxyethoxy)ethanol 234.64
    sec-butyl acetate 107.87
    tert-butyl acetate 148.14
    decalin 8.39
    glycerin 212.64
    diglyme 506.59
    acrylic acid 269.09
    isopropyl myristate 37.84
    n-butyric acid 214.24
    acetyl acetate 184.13
    di(2-ethylhexyl) phthalate 47.82
    ethyl propionate 183.5
    nitromethane 824.22
    1,2-diethoxyethane 217.71
    benzonitrile 207.6
    trioctyl phosphate 27.08
    1-bromopropane 148.11
    gamma-valerolactone 548.33
    n-decanol 27.03
    triethyl phosphate 59.0
    4-methyl-2-pentanol 53.4
    propionitrile 276.91
    vinylene carbonate 236.99
    1,1,2-trichlorotrifluoroethane 437.62
    DMS 169.26
    cumene 45.57
    2-octanol 24.24
    2-hexanone 186.83
    octyl acetate 49.9
    limonene 44.35
    1,2-dimethoxyethane 461.4
    ethyl orthosilicate 52.25
    tributyl phosphate 39.82
    diacetone alcohol 217.35
    N,N-dimethylaniline 147.22
    acrylonitrile 427.99
    aniline 247.24
    1,3-propanediol 265.88
    bromobenzene 190.84
    dibromomethane 254.04
    1,1,2,2-tetrachloroethane 498.3
    2-methyl-cyclohexyl acetate 80.49
    tetrabutyl urea 56.24
    diisobutyl methanol 35.38
    2-phenylethanol 152.76
    styrene 119.87
    dioctyl adipate 68.36
    dimethyl sulfate 267.7
    ethyl butyrate 118.3
    methyl lactate 162.52
    butyl lactate 73.69
    diethyl carbonate 102.21
    propanediol butyl ether 138.79
    triethyl orthoformate 76.52
    p-tert-butyltoluene 34.01
    methyl 4-tert-butylbenzoate 108.91
    morpholine 666.63
    tert-butylamine 95.24
    n-dodecanol 19.37
    dimethoxymethane 359.08
    ethylene carbonate 174.0
    cyrene 151.36
    2-ethoxyethyl acetate 154.72
    2-ethylhexyl acetate 103.28
    1,2,4-trichlorobenzene 219.95
    4-methylpyridine 444.66
    dibutyl ether 53.97
    2,6-dimethyl-4-heptanol 35.38
    DEF 325.85
    dimethyl isosorbide 258.67
    tetrachloroethylene 292.65
    eugenol 124.33
    triacetin 135.61
    span 80 106.79
    1,4-butanediol 100.87
    1,1-dichloroethane 284.91
    2-methyl-1-pentanol 116.58
    methyl formate 366.23
    2-methyl-1-butanol 133.49
    n-decane 2.48
    butyronitrile 195.67
    3,7-dimethyl-1-octanol 56.66
    1-chlorooctane 21.78
    1-chlorotetradecane 7.81
    n-nonane 2.27
    undecane 1.85
    tert-butylcyclohexane 8.05
    cyclooctane 3.28
    cyclopentanol 121.23
    tetrahydropyran 297.37
    tert-amyl methyl ether 129.35
    2,5,8-trioxanonane 324.64
    1-hexene 43.06
    2-isopropoxyethanol 189.4
    2,2,2-trifluoroethanol 108.37
    methyl butyrate 237.55

    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