Phenyl propionate

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  • Identifiers

    CAS number
    637-27-4

    Molecular formula
    C9H10O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Floral 62.61%
    Honey 57.08%
    Phenolic 56.52%
    Animal 53.73%
    Fruity 50.23%
    Aromatic 32.69%
    Balsamic 32.62%
    Sweet 30.55%
    Medicinal 29.91%
    Powdery 28.66%

    Scent© AI

  • Properties

    XLogP3-AA
    2.0

    Molecular weight
    150.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    207°C

    Flash point est.
    87.26 ˚C

  • Synonyms

    • Phenyl propionate
    • 637-27-4
    • Propionic Acid Phenyl Ester
    • Propanoic acid, phenyl ester
    • PHENYL PROPANOATE
    • Propionic acid, phenyl ester
    • phenylpropionate
    • phenol propionate
    • 53G5L84IRZ
    • EINECS 211-282-1
    • NSC 67977
    • NSC-67977
    • UNII-53G5L84IRZ
    • AI3-04253
    • DTXSID7060916
    • 132899-52-6
    • Propanoic acid, phenyl ester, labeled with carbon-14 (9CI)
    • PROPIONICACIDPHENYLESTER
    • MFCD00053765
    • Propanoic acid, phenylester
    • SCHEMBL45119
    • Phenyl propionate, AldrichCPR
    • DTXCID7044055
    • NSC67977
    • Propionic acid, phenyl ester (8CI)
    • STL268907
    • AKOS002710241
    • DB-255947
    • CS-0182542
    • NS00020861
    • P0509
    • C13913
    • Q63392752
    • 211-282-1

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 966.17
    methanol 1228.57
    isopropanol 731.26
    water 3.51
    ethyl acetate 1183.66
    n-propanol 703.36
    acetone 1887.08
    n-butanol 682.21
    acetonitrile 1611.91
    DMF 2637.1
    toluene 523.57
    isobutanol 585.26
    1,4-dioxane 1504.59
    methyl acetate 1263.56
    THF 1345.54
    2-butanone 1392.01
    n-pentanol 597.82
    sec-butanol 733.53
    n-hexane 159.11
    ethylene glycol 234.37
    NMP 1718.58
    cyclohexane 170.33
    DMSO 2255.42
    n-butyl acetate 1064.5
    n-octanol 559.86
    chloroform 3458.97
    n-propyl acetate 922.46
    acetic acid 1336.99
    dichloromethane 3784.63
    cyclohexanone 1560.23
    propylene glycol 246.19
    isopropyl acetate 591.48
    DMAc 2074.47
    2-ethoxyethanol 789.83
    isopentanol 612.9
    n-heptane 99.29
    ethyl formate 1052.03
    1,2-dichloroethane 2014.51
    n-hexanol 565.26
    2-methoxyethanol 1146.16
    isobutyl acetate 472.72
    tetrachloromethane 340.73
    n-pentyl acetate 612.61
    transcutol 2342.28
    n-heptanol 328.16
    ethylbenzene 476.28
    MIBK 537.92
    2-propoxyethanol 787.71
    tert-butanol 899.61
    MTBE 828.29
    2-butoxyethanol 531.57
    propionic acid 884.19
    o-xylene 398.11
    formic acid 345.86
    diethyl ether 825.13
    m-xylene 353.65
    p-xylene 638.83
    chlorobenzene 1002.76
    dimethyl carbonate 564.47
    n-octane 70.61
    formamide 765.61
    cyclopentanone 1655.11
    2-pentanone 1046.97
    anisole 937.01
    cyclopentyl methyl ether 617.06
    gamma-butyrolactone 1946.49
    1-methoxy-2-propanol 777.31
    pyridine 1596.66
    3-pentanone 839.13
    furfural 1769.91
    n-dodecane 79.71
    diethylene glycol 576.22
    diisopropyl ether 245.67
    tert-amyl alcohol 861.04
    acetylacetone 1116.84
    n-hexadecane 88.52
    acetophenone 970.12
    methyl propionate 925.55
    isopentyl acetate 736.81
    trichloroethylene 3600.53
    n-nonanol 441.52
    cyclohexanol 585.6
    benzyl alcohol 626.45
    2-ethylhexanol 401.6
    isooctanol 274.35
    dipropyl ether 504.63
    1,2-dichlorobenzene 963.16
    ethyl lactate 388.38
    propylene carbonate 1173.47
    n-methylformamide 1239.64
    2-pentanol 497.87
    n-pentane 114.56
    1-propoxy-2-propanol 588.63
    1-methoxy-2-propyl acetate 643.12
    2-(2-methoxypropoxy) propanol 631.59
    mesitylene 229.94
    ε-caprolactone 1285.76
    p-cymene 236.39
    epichlorohydrin 2064.96
    1,1,1-trichloroethane 1399.14
    2-aminoethanol 400.44
    morpholine-4-carbaldehyde 1519.87
    sulfolane 2009.78
    2,2,4-trimethylpentane 74.02
    2-methyltetrahydrofuran 1042.43
    n-hexyl acetate 1048.56
    isooctane 49.37
    2-(2-butoxyethoxy)ethanol 831.67
    sec-butyl acetate 530.6
    tert-butyl acetate 582.21
    decalin 125.19
    glycerin 334.37
    diglyme 1531.03
    acrylic acid 848.08
    isopropyl myristate 366.0
    n-butyric acid 1067.35
    acetyl acetate 797.34
    di(2-ethylhexyl) phthalate 292.41
    ethyl propionate 793.36
    nitromethane 2261.86
    1,2-diethoxyethane 960.67
    benzonitrile 1136.94
    trioctyl phosphate 233.69
    1-bromopropane 1106.14
    gamma-valerolactone 1688.04
    n-decanol 328.71
    triethyl phosphate 313.88
    4-methyl-2-pentanol 268.6
    propionitrile 1115.92
    vinylene carbonate 1276.5
    1,1,2-trichlorotrifluoroethane 1143.54
    DMS 753.13
    cumene 307.05
    2-octanol 312.31
    2-hexanone 912.63
    octyl acetate 483.43
    limonene 309.07
    1,2-dimethoxyethane 1627.91
    ethyl orthosilicate 283.64
    tributyl phosphate 332.68
    diacetone alcohol 581.81
    N,N-dimethylaniline 614.49
    acrylonitrile 1518.99
    aniline 621.65
    1,3-propanediol 579.83
    bromobenzene 1167.9
    dibromomethane 2345.46
    1,1,2,2-tetrachloroethane 2489.92
    2-methyl-cyclohexyl acetate 459.59
    tetrabutyl urea 439.24
    diisobutyl methanol 224.26
    2-phenylethanol 530.67
    styrene 686.26
    dioctyl adipate 514.87
    dimethyl sulfate 790.53
    ethyl butyrate 794.12
    methyl lactate 393.24
    butyl lactate 457.39
    diethyl carbonate 619.2
    propanediol butyl ether 604.36
    triethyl orthoformate 430.54
    p-tert-butyltoluene 216.06
    methyl 4-tert-butylbenzoate 585.46
    morpholine 1340.07
    tert-butylamine 603.77
    n-dodecanol 261.55
    dimethoxymethane 1054.54
    ethylene carbonate 1019.31
    cyrene 449.79
    2-ethoxyethyl acetate 723.96
    2-ethylhexyl acetate 592.7
    1,2,4-trichlorobenzene 993.19
    4-methylpyridine 1596.59
    dibutyl ether 687.52
    2,6-dimethyl-4-heptanol 224.26
    DEF 1396.15
    dimethyl isosorbide 774.65
    tetrachloroethylene 1537.67
    eugenol 628.1
    triacetin 766.93
    span 80 521.16
    1,4-butanediol 312.49
    1,1-dichloroethane 1888.04
    2-methyl-1-pentanol 559.6
    methyl formate 1072.83
    2-methyl-1-butanol 611.81
    n-decane 115.64
    butyronitrile 1167.71
    3,7-dimethyl-1-octanol 437.23
    1-chlorooctane 434.51
    1-chlorotetradecane 188.64
    n-nonane 116.01
    undecane 94.06
    tert-butylcyclohexane 113.62
    cyclooctane 55.06
    cyclopentanol 613.04
    tetrahydropyran 1134.47
    tert-amyl methyl ether 638.66
    2,5,8-trioxanonane 1028.37
    1-hexene 568.68
    2-isopropoxyethanol 560.36
    2,2,2-trifluoroethanol 405.09
    methyl butyrate 1158.4

    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