Propyl Benzoate

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  • Identifiers

    CAS number
    2315-68-6

    Molecular formula
    C10H12O2

    SMILES
    CCCOC(=O)C1=CC=CC=C1

  • Odor profile

    Fragrance
    Balsamic 72.65%
    Sweet 68.75%
    Fruity 66.63%
    Floral 66.57%
    Herbal 49.65%
    Cherry 39.68%
    Green 39.49%
    Anisic 35.07%
    Powdery 34.78%
    Spicy 34.48%

     

    Flavor
    Balsam 75.58%
    Fruity 59.37%
    Floral 51.4%
    Sweet 49.58%
    Strawberry 41.04%
    Balsamic 39.36%
    Cherry 38.49%
    Almond 35.42%
    Wintergreen 35.21%
    Berry 34.75%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    6.61 (neutral)

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • -51 - -52 °C

    Boiling point

    • 229.00 to 231.00 °C. @ 760.00 mm Hg

    Flash point

    • 91.16 ˚C est.

    Solubility expt.

    • 0.351 mg/mL at 25 °C
    • insoluble in water; soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • PROPYL BENZOATE
    • 2315-68-6
    • Benzoic acid, propyl ester
    • n-Propyl benzoate
    • Propyl benzenecarboxylate
    • Benzoic Acid Propyl Ester
    • Benzoic acid n-propyl ester
    • Benzoate de propyle
    • FEMA No. 2931
    • UNII-VWK210B7WS
    • VWK210B7WS
    • DTXSID4044878
    • EINECS 219-020-8
    • NSC 229333
    • NSC-229333
    • AI3-01973
    • PROPYL BENZOATE [FHFI]
    • DTXCID2024878
    • FEMA 2931
    • CHEBI:156072
    • NCGC00159383-02
    • NCGC00159383-04
    • CAS-2315-68-6
    • propyl-benzoate
    • 1-propyl benzoate
    • propyl benzoic acid
    • Propyl Benzoate; Benzoic acid, propyl ester; NSC 229333; Propyl benzoate; n-Propyl benzoate
    • MFCD00009370
    • Benzoic acid,propylester
    • Propyl benzoate, 99%
    • Benzoic acid-propyl ester
    • n-propyl benzenecarboxylate
    • SCHEMBL130761
    • PROPYL BENZOATE [INCI]
    • CHEMBL1355077
    • Tox21_111621
    • Tox21_301605
    • NSC229333
    • AKOS008947829
    • Tox21_111621_1
    • GS-3390
    • NCGC00159383-03
    • NCGC00256062-01
    • DB-046092
    • B0076
    • CS-0152062
    • NS00013161
    • D70394
    • SBI-0654049.0001
    • EN300-7794258
    • SR-01000944754
    • Q7250465
    • SR-01000944754-1
    • BRD-K15329706-001-01-6
    • Z53835171
    • 219-020-8

  • Applications

    Propyl benzoate (CAS 2315-68-6) is widely used as a fragrance ingredient and solvent in perfumery and cosmetics, helping to dissolve and carry aroma compounds and to act as a formulation solvent for personal care products. It is also used in household products such as air fresheners and cleaners as a fragrance solvent and carrier. In coatings, inks and related industrial formulations, it serves as a resin solvent and processing aid to adjust solvency and viscosity. In polymer and plastics processing, it can act as a processing solvent or diluent for certain resin systems, and in some industrial manufacturing applications it is employed as a solvent or intermediate for formulation components where its solvent properties are appropriate.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1367.38
    methanol 1489.97
    isopropanol 973.96
    water 1.07
    ethyl acetate 1212.72
    n-propanol 1031.51
    acetone 1918.41
    n-butanol 1256.04
    acetonitrile 1571.47
    DMF 3863.14
    toluene 699.01
    isobutanol 926.06
    1,4-dioxane 1528.76
    methyl acetate 1221.26
    THF 1447.04
    2-butanone 1427.72
    n-pentanol 868.49
    sec-butanol 1031.76
    n-hexane 179.29
    ethylene glycol 221.92
    NMP 1876.11
    cyclohexane 250.34
    DMSO 1749.86
    n-butyl acetate 1511.4
    n-octanol 705.52
    chloroform 4255.86
    n-propyl acetate 1011.92
    acetic acid 1508.04
    dichloromethane 4054.69
    cyclohexanone 1990.53
    propylene glycol 271.95
    isopropyl acetate 715.47
    DMAc 2191.33
    2-ethoxyethanol 927.22
    isopentanol 1022.47
    n-heptane 105.78
    ethyl formate 1168.3
    1,2-dichloroethane 2850.79
    n-hexanol 957.94
    2-methoxyethanol 1440.31
    isobutyl acetate 597.8
    tetrachloromethane 391.96
    n-pentyl acetate 791.9
    transcutol 3005.31
    n-heptanol 509.17
    ethylbenzene 554.16
    MIBK 688.12
    2-propoxyethanol 1091.34
    tert-butanol 1090.43
    MTBE 965.36
    2-butoxyethanol 731.08
    propionic acid 993.65
    o-xylene 472.15
    formic acid 392.58
    diethyl ether 1037.99
    m-xylene 458.83
    p-xylene 659.93
    chlorobenzene 1514.1
    dimethyl carbonate 531.41
    n-octane 71.37
    formamide 764.81
    cyclopentanone 1724.28
    2-pentanone 1258.97
    anisole 1097.87
    cyclopentyl methyl ether 779.22
    gamma-butyrolactone 1805.09
    1-methoxy-2-propanol 1016.34
    pyridine 2220.56
    3-pentanone 829.93
    furfural 2166.02
    n-dodecane 70.65
    diethylene glycol 692.41
    diisopropyl ether 285.99
    tert-amyl alcohol 1121.34
    acetylacetone 1119.73
    n-hexadecane 80.89
    acetophenone 1030.91
    methyl propionate 946.87
    isopentyl acetate 1172.33
    trichloroethylene 5181.15
    n-nonanol 550.19
    cyclohexanol 1022.35
    benzyl alcohol 837.73
    2-ethylhexanol 598.17
    isooctanol 409.04
    dipropyl ether 547.02
    1,2-dichlorobenzene 1326.39
    ethyl lactate 434.03
    propylene carbonate 1309.61
    n-methylformamide 1504.37
    2-pentanol 872.76
    n-pentane 139.55
    1-propoxy-2-propanol 817.32
    1-methoxy-2-propyl acetate 819.75
    2-(2-methoxypropoxy) propanol 645.4
    mesitylene 289.15
    ε-caprolactone 1543.93
    p-cymene 277.01
    epichlorohydrin 2450.24
    1,1,1-trichloroethane 1911.2
    2-aminoethanol 487.93
    morpholine-4-carbaldehyde 1611.85
    sulfolane 1713.58
    2,2,4-trimethylpentane 80.85
    2-methyltetrahydrofuran 1125.55
    n-hexyl acetate 1211.01
    isooctane 64.53
    2-(2-butoxyethoxy)ethanol 987.41
    sec-butyl acetate 631.34
    tert-butyl acetate 718.15
    decalin 153.88
    glycerin 352.51
    diglyme 1827.76
    acrylic acid 955.73
    isopropyl myristate 393.86
    n-butyric acid 1544.57
    acetyl acetate 760.37
    di(2-ethylhexyl) phthalate 293.53
    ethyl propionate 788.49
    nitromethane 2460.7
    1,2-diethoxyethane 1136.54
    benzonitrile 1551.97
    trioctyl phosphate 249.63
    1-bromopropane 1468.21
    gamma-valerolactone 1983.11
    n-decanol 391.45
    triethyl phosphate 319.2
    4-methyl-2-pentanol 433.97
    propionitrile 1452.99
    vinylene carbonate 1487.75
    1,1,2-trichlorotrifluoroethane 1457.13
    DMS 715.05
    cumene 349.1
    2-octanol 434.15
    2-hexanone 1053.28
    octyl acetate 535.08
    limonene 390.96
    1,2-dimethoxyethane 1808.44
    ethyl orthosilicate 303.97
    tributyl phosphate 337.38
    diacetone alcohol 778.13
    N,N-dimethylaniline 666.4
    acrylonitrile 1939.06
    aniline 917.16
    1,3-propanediol 781.92
    bromobenzene 1632.34
    dibromomethane 2630.28
    1,1,2,2-tetrachloroethane 3803.93
    2-methyl-cyclohexyl acetate 516.59
    tetrabutyl urea 454.12
    diisobutyl methanol 308.36
    2-phenylethanol 757.38
    styrene 841.13
    dioctyl adipate 500.56
    dimethyl sulfate 652.67
    ethyl butyrate 863.88
    methyl lactate 456.53
    butyl lactate 579.84
    diethyl carbonate 625.39
    propanediol butyl ether 755.86
    triethyl orthoformate 497.62
    p-tert-butyltoluene 255.32
    methyl 4-tert-butylbenzoate 608.41
    morpholine 1778.51
    tert-butylamine 775.31
    n-dodecanol 286.96
    dimethoxymethane 1303.12
    ethylene carbonate 1122.94
    cyrene 451.38
    2-ethoxyethyl acetate 875.2
    2-ethylhexyl acetate 869.02
    1,2,4-trichlorobenzene 1359.91
    4-methylpyridine 2241.29
    dibutyl ether 783.27
    2,6-dimethyl-4-heptanol 308.36
    DEF 1776.1
    dimethyl isosorbide 811.57
    tetrachloroethylene 2313.49
    eugenol 686.69
    triacetin 715.57
    span 80 575.07
    1,4-butanediol 368.14
    1,1-dichloroethane 2481.1
    2-methyl-1-pentanol 851.17
    methyl formate 1144.01
    2-methyl-1-butanol 1008.55
    n-decane 114.01
    butyronitrile 1629.28
    3,7-dimethyl-1-octanol 565.62
    1-chlorooctane 514.04
    1-chlorotetradecane 188.86
    n-nonane 114.73
    undecane 87.82
    tert-butylcyclohexane 132.65
    cyclooctane 78.24
    cyclopentanol 773.69
    tetrahydropyran 1574.34
    tert-amyl methyl ether 732.76
    2,5,8-trioxanonane 1081.14
    1-hexene 699.88
    2-isopropoxyethanol 626.6
    2,2,2-trifluoroethanol 411.77
    methyl butyrate 1260.98

    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