Phenyl acetate

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  • Identifiers

    CAS number
    122-79-2

    Molecular formula
    C8H8O2

    SMILES
    CC(=O)OC1=CC=CC=C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Phenolic 72.77%
    Floral 66.4%
    Animal 52.27%
    Woody 45.14%
    Medicinal 44.84%
    Honey 42.54%
    Balsamic 42.28%
    Sweet 38.19%
    Aromatic 37.9%
    Fruity 35.54%

    Scent© AI

  • Properties

    XLogP3-AA
    1.5

    Molecular weight
    136.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • -30 °C

    Boiling point

    • 196 °C
    • 196.00 to 198.00 °C. @ 760.00 mm Hg

    Flash point est.
    86.34 ˚C

    Flash point expt.

    • 176 °F (NFPA, 2010)
    • 176 °F
    • 80 °C

    Solubility expt.

    • PRACTICALLY INSOL IN WATER; SOL IN GLACIAL ACETIC ACID; MISCIBLE WITH ALCOHOL, CHLOROFORM, ETHER
    • Miscible with oxygenated and chlorinated solvents.
    • Solubility in water: none
    • insoluble in water; miscible in alcohol
    • miscible (in ethanol)

  • Synonyms

    • PHENYL ACETATE
    • 122-79-2
    • Acetic acid, phenyl ester
    • Phenol acetate
    • Acetylphenol
    • Acetic acid phenyl ester
    • Acetyl phenol
    • Acetoxybenzene
    • Acetic acid,phenyl ester
    • Fenylester kyseliny octove
    • Acetates
    • HSDB 2667
    • Fenylester kyseliny octove [Czech]
    • EINECS 204-575-0
    • NSC 27795
    • BRN 0636458
    • CHEBI:8082
    • UNII-355G9R500Y
    • AI3-01972
    • MFCD00008699
    • NSC-27795
    • 355G9R500Y
    • Phenyl ester of acetic acid
    • DTXSID3051626
    • FEMA NO. 3958
    • EC 204-575-0
    • 4-06-00-00613 (Beilstein Handbook Reference)
    • (Acetyloxy)benzene
    • Acetic Acid Phenyl Ester; Phenyl Acetate
    • Acetic acid-phenyl ester
    • PhOAc
    • phenoxy ethan-1-one
    • Acetic acid phenylester
    • Phenyl acetate, 99%
    • Phenyl acetate (Standard)
    • bmse000481
    • bmse010117
    • WLN: 1VOR
    • PHENYL ACETATE [MI]
    • SCHEMBL35500
    • PHENYL ACETATE [FHFI]
    • PHENYL ACETATE [HSDB]
    • CHEMBL289559
    • ACETIC ACID, PHENYLESTER
    • DTXCID4030178
    • FEMA 3958
    • Phenyl acetate, analytical standard
    • NSC27795
    • STK022563
    • AKOS002710242
    • HY-128733R
    • PS-5400
    • FP166555
    • NCI60_002262
    • DB-243011
    • HY-128733
    • A0043
    • CS-0102517
    • NS00002694
    • C00548
    • D88203
    • Q419645
    • InChI=1/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H
    • 204-575-0
    • QY9

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 524.81
    methanol 697.98
    isopropanol 356.5
    water 8.15
    ethyl acetate 443.39
    n-propanol 338.15
    acetone 779.7
    n-butanol 271.71
    acetonitrile 623.53
    DMF 1312.39
    toluene 148.12
    isobutanol 234.59
    1,4-dioxane 725.51
    methyl acetate 509.45
    THF 668.73
    2-butanone 446.1
    n-pentanol 198.07
    sec-butanol 276.34
    n-hexane 67.47
    ethylene glycol 249.9
    NMP 878.92
    cyclohexane 87.25
    DMSO 1441.31
    n-butyl acetate 216.05
    n-octanol 196.96
    chloroform 748.72
    n-propyl acetate 238.4
    acetic acid 496.47
    dichloromethane 958.48
    cyclohexanone 469.2
    propylene glycol 198.91
    isopropyl acetate 205.11
    DMAc 1116.18
    2-ethoxyethanol 335.07
    isopentanol 188.98
    n-heptane 58.68
    ethyl formate 349.74
    1,2-dichloroethane 486.13
    n-hexanol 224.89
    2-methoxyethanol 645.68
    isobutyl acetate 130.31
    tetrachloromethane 90.69
    n-pentyl acetate 156.12
    transcutol 797.22
    n-heptanol 111.83
    ethylbenzene 137.49
    MIBK 195.44
    2-propoxyethanol 391.14
    tert-butanol 389.46
    MTBE 277.65
    2-butoxyethanol 189.35
    propionic acid 341.82
    o-xylene 136.21
    formic acid 176.35
    diethyl ether 391.44
    m-xylene 125.4
    p-xylene 162.62
    chlorobenzene 221.21
    dimethyl carbonate 294.69
    n-octane 30.01
    formamide 312.03
    cyclopentanone 586.05
    2-pentanone 361.56
    anisole 334.24
    cyclopentyl methyl ether 297.34
    gamma-butyrolactone 673.94
    1-methoxy-2-propanol 454.85
    pyridine 368.37
    3-pentanone 315.73
    furfural 572.52
    n-dodecane 36.15
    diethylene glycol 377.15
    diisopropyl ether 101.33
    tert-amyl alcohol 295.43
    acetylacetone 461.42
    n-hexadecane 38.82
    acetophenone 277.83
    methyl propionate 455.52
    isopentyl acetate 157.97
    trichloroethylene 718.21
    n-nonanol 167.22
    cyclohexanol 238.78
    benzyl alcohol 200.72
    2-ethylhexanol 139.42
    isooctanol 91.75
    dipropyl ether 230.74
    1,2-dichlorobenzene 230.74
    ethyl lactate 180.19
    propylene carbonate 374.29
    n-methylformamide 547.43
    2-pentanol 176.31
    n-pentane 60.42
    1-propoxy-2-propanol 266.09
    1-methoxy-2-propyl acetate 256.36
    2-(2-methoxypropoxy) propanol 283.35
    mesitylene 88.82
    ε-caprolactone 402.19
    p-cymene 89.04
    epichlorohydrin 606.47
    1,1,1-trichloroethane 366.49
    2-aminoethanol 291.13
    morpholine-4-carbaldehyde 800.8
    sulfolane 871.94
    2,2,4-trimethylpentane 28.03
    2-methyltetrahydrofuran 408.32
    n-hexyl acetate 289.41
    isooctane 20.32
    2-(2-butoxyethoxy)ethanol 345.59
    sec-butyl acetate 148.3
    tert-butyl acetate 208.62
    decalin 50.4
    glycerin 271.99
    diglyme 601.11
    acrylic acid 325.93
    isopropyl myristate 140.67
    n-butyric acid 312.83
    acetyl acetate 286.9
    di(2-ethylhexyl) phthalate 123.08
    ethyl propionate 289.75
    nitromethane 885.93
    1,2-diethoxyethane 295.69
    benzonitrile 275.79
    trioctyl phosphate 98.01
    1-bromopropane 310.86
    gamma-valerolactone 619.89
    n-decanol 136.09
    triethyl phosphate 122.13
    4-methyl-2-pentanol 95.53
    propionitrile 381.33
    vinylene carbonate 405.68
    1,1,2-trichlorotrifluoroethane 399.38
    DMS 305.8
    cumene 103.54
    2-octanol 99.87
    2-hexanone 240.65
    octyl acetate 179.5
    limonene 124.98
    1,2-dimethoxyethane 757.36
    ethyl orthosilicate 108.31
    tributyl phosphate 122.39
    diacetone alcohol 268.16
    N,N-dimethylaniline 243.01
    acrylonitrile 493.16
    aniline 201.04
    1,3-propanediol 314.02
    bromobenzene 215.36
    dibromomethane 565.71
    1,1,2,2-tetrachloroethane 535.21
    2-methyl-cyclohexyl acetate 167.87
    tetrabutyl urea 181.2
    diisobutyl methanol 86.47
    2-phenylethanol 187.56
    styrene 179.14
    dioctyl adipate 199.14
    dimethyl sulfate 472.74
    ethyl butyrate 233.73
    methyl lactate 255.2
    butyl lactate 141.93
    diethyl carbonate 193.2
    propanediol butyl ether 231.35
    triethyl orthoformate 144.46
    p-tert-butyltoluene 84.29
    methyl 4-tert-butylbenzoate 255.1
    morpholine 576.04
    tert-butylamine 242.37
    n-dodecanol 114.05
    dimethoxymethane 707.63
    ethylene carbonate 318.44
    cyrene 245.04
    2-ethoxyethyl acetate 229.72
    2-ethylhexyl acetate 126.04
    1,2,4-trichlorobenzene 245.03
    4-methylpyridine 365.05
    dibutyl ether 217.71
    2,6-dimethyl-4-heptanol 86.47
    DEF 518.41
    dimethyl isosorbide 386.88
    tetrachloroethylene 324.51
    eugenol 246.94
    triacetin 314.09
    span 80 233.21
    1,4-butanediol 159.19
    1,1-dichloroethane 458.18
    2-methyl-1-pentanol 158.14
    methyl formate 515.04
    2-methyl-1-butanol 200.39
    n-decane 49.31
    butyronitrile 322.63
    3,7-dimethyl-1-octanol 159.58
    1-chlorooctane 145.17
    1-chlorotetradecane 76.54
    n-nonane 51.04
    undecane 41.14
    tert-butylcyclohexane 48.25
    cyclooctane 30.45
    cyclopentanol 280.48
    tetrahydropyran 436.4
    tert-amyl methyl ether 227.01
    2,5,8-trioxanonane 489.04
    1-hexene 169.27
    2-isopropoxyethanol 223.63
    2,2,2-trifluoroethanol 173.15
    methyl butyrate 355.63

    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