Phenyl formate

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  • Identifiers

    CAS number
    1864-94-4

    Molecular formula
    C7H6O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Floral 56.33%
    Sweet 55.07%
    Phenolic 50.2%
    Balsamic 45.42%
    Green 41.59%
    Fruity 41.41%
    Spicy 38.4%
    Woody 35.75%
    Almond 35.53%
    Cherry 33.86%

    Scent© AI

  • Properties

    XLogP3-AA
    1.3

    Molecular weight
    122.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    177°C

    Flash point est.
    71.45 ˚C

  • Synonyms

    • PHENYL FORMATE
    • 1864-94-4
    • Formic acid phenyl ester
    • Formic acid, phenyl ester
    • V4EL38P3VW
    • MFCD00014126
    • EINECS 217-471-5
    • CHEMBL366050
    • DTXSID30171898
    • PhOCHO
    • UNII-V4EL38P3VW
    • SCHEMBL2662
    • CHEMBL-366050
    • DTXCID3094389
    • BDBM50152732
    • Phenyl formate, >=98.0% (GC)
    • AKOS016010550
    • AS-56569
    • SY106351
    • DB-044603
    • CS-0119930
    • NS00026102
    • P2770
    • F20974
    • EN300-7099473
    • 217-471-5

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1072.45
    methanol 1104.95
    isopropanol 611.03
    water 1.65
    ethyl acetate 1519.21
    n-propanol 695.06
    acetone 2777.3
    n-butanol 481.53
    acetonitrile 2270.29
    DMF 2555.98
    toluene 228.38
    isobutanol 411.48
    1,4-dioxane 1640.85
    methyl acetate 1822.53
    THF 2085.29
    2-butanone 1698.22
    n-pentanol 266.42
    sec-butanol 493.89
    n-hexane 25.84
    ethylene glycol 276.24
    NMP 1655.28
    cyclohexane 56.06
    DMSO 4189.76
    n-butyl acetate 435.81
    n-octanol 149.52
    chloroform 1527.0
    n-propyl acetate 664.52
    acetic acid 1210.27
    dichloromethane 2436.17
    cyclohexanone 1310.66
    propylene glycol 234.0
    isopropyl acetate 487.08
    DMAc 1231.63
    2-ethoxyethanol 578.77
    isopentanol 309.31
    n-heptane 27.13
    ethyl formate 717.0
    1,2-dichloroethane 1971.84
    n-hexanol 233.97
    2-methoxyethanol 1225.54
    isobutyl acetate 288.08
    tetrachloromethane 110.82
    n-pentyl acetate 236.5
    transcutol 2211.2
    n-heptanol 104.35
    ethylbenzene 127.94
    MIBK 388.68
    2-propoxyethanol 515.52
    tert-butanol 584.98
    MTBE 521.45
    2-butoxyethanol 264.59
    propionic acid 908.9
    o-xylene 132.69
    formic acid 335.18
    diethyl ether 899.47
    m-xylene 132.64
    p-xylene 158.05
    chlorobenzene 446.91
    dimethyl carbonate 519.62
    n-octane 13.65
    formamide 1130.55
    cyclopentanone 2131.51
    2-pentanone 1084.19
    anisole 457.31
    cyclopentyl methyl ether 659.4
    gamma-butyrolactone 2536.73
    1-methoxy-2-propanol 715.83
    pyridine 1438.49
    3-pentanone 783.09
    furfural 1356.09
    n-dodecane 15.99
    diethylene glycol 453.48
    diisopropyl ether 145.03
    tert-amyl alcohol 421.05
    acetylacetone 1093.84
    n-hexadecane 18.15
    acetophenone 403.86
    methyl propionate 1203.29
    isopentyl acetate 314.32
    trichloroethylene 2622.29
    n-nonanol 128.61
    cyclohexanol 342.85
    benzyl alcohol 267.78
    2-ethylhexanol 135.69
    isooctanol 88.85
    dipropyl ether 225.74
    1,2-dichlorobenzene 350.41
    ethyl lactate 210.57
    propylene carbonate 876.52
    n-methylformamide 1499.8
    2-pentanol 280.34
    n-pentane 28.5
    1-propoxy-2-propanol 314.92
    1-methoxy-2-propyl acetate 417.19
    2-(2-methoxypropoxy) propanol 324.51
    mesitylene 83.69
    ε-caprolactone 960.89
    p-cymene 72.59
    epichlorohydrin 2538.29
    1,1,1-trichloroethane 907.2
    2-aminoethanol 421.05
    morpholine-4-carbaldehyde 1255.65
    sulfolane 2243.11
    2,2,4-trimethylpentane 18.02
    2-methyltetrahydrofuran 1406.72
    n-hexyl acetate 384.38
    isooctane 15.44
    2-(2-butoxyethoxy)ethanol 482.16
    sec-butyl acetate 325.91
    tert-butyl acetate 450.48
    decalin 31.48
    glycerin 303.85
    diglyme 1031.68
    acrylic acid 778.73
    isopropyl myristate 137.83
    n-butyric acid 860.8
    acetyl acetate 650.15
    di(2-ethylhexyl) phthalate 104.37
    ethyl propionate 525.3
    nitromethane 3622.65
    1,2-diethoxyethane 525.35
    benzonitrile 423.52
    trioctyl phosphate 87.45
    1-bromopropane 686.76
    gamma-valerolactone 1728.46
    n-decanol 99.14
    triethyl phosphate 133.0
    4-methyl-2-pentanol 126.88
    propionitrile 1053.38
    vinylene carbonate 716.58
    1,1,2-trichlorotrifluoroethane 892.86
    DMS 482.8
    cumene 78.66
    2-octanol 82.81
    2-hexanone 552.08
    octyl acetate 185.88
    limonene 109.78
    1,2-dimethoxyethane 1055.38
    ethyl orthosilicate 113.81
    tributyl phosphate 115.41
    diacetone alcohol 509.7
    N,N-dimethylaniline 213.8
    acrylonitrile 1447.71
    aniline 360.83
    1,3-propanediol 534.09
    bromobenzene 449.57
    dibromomethane 1234.09
    1,1,2,2-tetrachloroethane 1543.29
    2-methyl-cyclohexyl acetate 203.1
    tetrabutyl urea 156.5
    diisobutyl methanol 91.27
    2-phenylethanol 226.12
    styrene 202.35
    dioctyl adipate 205.69
    dimethyl sulfate 774.26
    ethyl butyrate 321.86
    methyl lactate 362.78
    butyl lactate 175.46
    diethyl carbonate 232.58
    propanediol butyl ether 273.24
    triethyl orthoformate 169.98
    p-tert-butyltoluene 69.42
    methyl 4-tert-butylbenzoate 263.86
    morpholine 1825.14
    tert-butylamine 260.81
    n-dodecanol 76.75
    dimethoxymethane 1253.26
    ethylene carbonate 589.6
    cyrene 280.62
    2-ethoxyethyl acetate 431.63
    2-ethylhexyl acetate 231.61
    1,2,4-trichlorobenzene 405.41
    4-methylpyridine 913.11
    dibutyl ether 215.6
    2,6-dimethyl-4-heptanol 91.27
    DEF 1043.82
    dimethyl isosorbide 496.32
    tetrachloroethylene 842.14
    eugenol 265.77
    triacetin 419.62
    span 80 235.79
    1,4-butanediol 181.93
    1,1-dichloroethane 1387.47
    2-methyl-1-pentanol 190.68
    methyl formate 1161.38
    2-methyl-1-butanol 320.67
    n-decane 23.13
    butyronitrile 667.09
    3,7-dimethyl-1-octanol 146.92
    1-chlorooctane 107.53
    1-chlorotetradecane 45.54
    n-nonane 22.27
    undecane 19.1
    tert-butylcyclohexane 28.02
    cyclooctane 16.47
    cyclopentanol 559.17
    tetrahydropyran 1432.48
    tert-amyl methyl ether 323.8
    2,5,8-trioxanonane 643.95
    1-hexene 143.47
    2-isopropoxyethanol 364.6
    2,2,2-trifluoroethanol 361.55
    methyl butyrate 728.06

    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