Ethyl 3-phenylpropionate

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  • Identifiers

    CAS number
    2021-28-5

    Molecular formula
    C11H14O2

    SMILES
    CCOC(=O)CCC1=CC=CC=C1

  • Odor profile

    Fruity 90.69%
    Sweet 86.37%
    Floral 83.56%
    Honey 64.11%
    Balsamic 64.02%
    Rose 63.38%
    Spicy 50.11%
    Apricot 41.94%
    Pineapple 40.86%
    Plum 37.93%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    178.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 477 °F at 760 mmHg (NTP, 1992)
    • 247.00 to 249.00 °C. @ 760.00 mm Hg

    Flash point est.
    114.89 ˚C

    Solubility expt.

    • less than 1 mg/mL at 77 °F (NTP, 1992)
    • 0.22 mg/mL at 25 °C
    • insoluble in water; soluble in oils
    • miscible (in ethanol)

  • Synonyms

    • Ethyl 3-phenylpropionate
    • Ethyl 3-phenylpropanoate
    • 2021-28-5
    • Ethyl hydrocinnamate
    • Benzenepropanoic acid, ethyl ester
    • 3-Phenylpropionic Acid Ethyl Ester
    • Ethyl dihydrocinnamate
    • Hydrocinnamic acid, ethyl ester
    • ETHYL BENZENEPROPANOATE
    • Ethylhydrocinnamoate
    • Ethylphenyl propanoate
    • FEMA No. 2455
    • ethyl benzylacetate
    • UNII-58E9Z9V64D
    • DTXSID9047095
    • 58E9Z9V64D
    • EINECS 217-966-6
    • MFCD00009206
    • ethyl beta-phenylpropionate
    • NSC 126040
    • NSC-126040
    • AI3-11591
    • DTXCID7027095
    • Hydrocinnamic acid, ethyl ester (8CI)
    • ETHYL 3-PHENYLPROPIONATE [FHFI]
    • Ethyl3-phenylpropionate
    • ethylhydrocinnamate
    • EPP cpd
    • 3-phenyl-propionic acid ethyl ester
    • HYDROCINNAMIC ACID ETHYL ESTER
    • ethyl phenylpropanoate
    • ethyl 3phenylpropionate
    • Ethyl 3-phenylproprionate
    • Ethyl hydrocinnamate, 99%
    • SCHEMBL304816
    • CHEMBL2252095
    • FEMA 2455
    • CHEBI:173833
    • ETHYL BETA-PHENYLPROPANOATE
    • 3-phenylpropanoic acid ethyl ester
    • 3-phenyl-propanoic acid ethyl ester
    • Tox21_302337
    • BBL035649
    • NSC126040
    • STL442490
    • AKOS005256946
    • CS-W002049
    • FE39043
    • Ethyl 3-phenylpropionate, >=98%, FG
    • NCGC00256223-01
    • AC-23568
    • CS-11279
    • SY013603
    • CAS-2021-28-5
    • DB-014798
    • NS00021817
    • P1304
    • EN300-7403201
    • ETHYL HYDROCINNAMATE;ETHYL B-PHENYLPROPIONATE
    • Q27261590
    • 3-Phenylpropionic acid ethyl ester;Ethyl hydrocinnamate
    • 217-966-6

  • Applications

    Ethyl 3-phenylpropionate (CAS 2021-28-5) is a sweet, fruity–floral, honeyed, balsamic ester used broadly as an aroma ingredient in fine fragrances, body mists, soaps, shampoos, detergents, and deodorizing products, and as a scent component for candles, reed diffusers, and air care due to its substantivity and good harmony with white-floral, red-fruit, vanilla, and woody accords; in foods and beverages it functions as a flavoring agent to reinforce strawberry, apricot, grape, pineapple, apple, caramel, or honey notes in confectionery, baked goods, yogurt, soft drinks, and liqueurs; it also acts as a modifier and mild fixative that rounds blends and extends the dry-down; in organic synthesis it serves as a convenient intermediate to hydrocinnamate derivatives for new fragrance design, flavor additives, and certain pharma/agro scaffolds, and it can be used as a reference or internal standard in GC–MS method development; typical use levels are low and follow applicable flavor and fragrance safety guidelines and regulatory limits.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 558.3
    methanol 831.94
    isopropanol 259.58
    water 1.02
    ethyl acetate 669.9
    n-propanol 334.33
    acetone 971.84
    n-butanol 297.58
    acetonitrile 857.8
    DMF 1584.07
    toluene 217.07
    isobutanol 206.24
    1,4-dioxane 1103.92
    methyl acetate 544.35
    THF 793.61
    2-butanone 579.1
    n-pentanol 240.64
    sec-butanol 209.51
    n-hexane 29.33
    ethylene glycol 146.26
    NMP 899.22
    cyclohexane 30.02
    DMSO 1871.47
    n-butyl acetate 396.95
    n-octanol 69.64
    chloroform 2054.91
    n-propyl acetate 356.03
    acetic acid 814.3
    dichloromethane 2225.73
    cyclohexanone 715.19
    propylene glycol 145.89
    isopropyl acetate 329.33
    DMAc 1256.63
    2-ethoxyethanol 514.9
    isopentanol 264.36
    n-heptane 11.9
    ethyl formate 302.96
    1,2-dichloroethane 1454.04
    n-hexanol 189.47
    2-methoxyethanol 773.0
    isobutyl acetate 222.48
    tetrachloromethane 127.51
    n-pentyl acetate 164.66
    transcutol 2307.28
    n-heptanol 64.68
    ethylbenzene 127.45
    MIBK 248.69
    2-propoxyethanol 426.41
    tert-butanol 377.58
    MTBE 394.88
    2-butoxyethanol 192.51
    propionic acid 427.1
    o-xylene 125.94
    formic acid 310.18
    diethyl ether 553.49
    m-xylene 124.18
    p-xylene 148.8
    chlorobenzene 452.32
    dimethyl carbonate 263.93
    n-octane 5.32
    formamide 579.48
    cyclopentanone 807.94
    2-pentanone 447.7
    anisole 406.85
    cyclopentyl methyl ether 353.71
    gamma-butyrolactone 958.29
    1-methoxy-2-propanol 437.37
    pyridine 881.16
    3-pentanone 367.2
    furfural 849.39
    n-dodecane 6.07
    diethylene glycol 384.92
    diisopropyl ether 101.02
    tert-amyl alcohol 277.61
    acetylacetone 669.19
    n-hexadecane 7.2
    acetophenone 344.92
    methyl propionate 462.31
    isopentyl acetate 329.51
    trichloroethylene 2280.43
    n-nonanol 66.14
    cyclohexanol 212.67
    benzyl alcohol 270.75
    2-ethylhexanol 118.81
    isooctanol 60.09
    dipropyl ether 171.53
    1,2-dichlorobenzene 425.03
    ethyl lactate 142.8
    propylene carbonate 472.14
    n-methylformamide 604.1
    2-pentanol 153.56
    n-pentane 16.63
    1-propoxy-2-propanol 262.98
    1-methoxy-2-propyl acetate 365.53
    2-(2-methoxypropoxy) propanol 294.17
    mesitylene 76.46
    ε-caprolactone 567.18
    p-cymene 65.06
    epichlorohydrin 1270.0
    1,1,1-trichloroethane 742.86
    2-aminoethanol 269.16
    morpholine-4-carbaldehyde 946.37
    sulfolane 1107.34
    2,2,4-trimethylpentane 15.27
    2-methyltetrahydrofuran 534.6
    n-hexyl acetate 232.83
    isooctane 11.05
    2-(2-butoxyethoxy)ethanol 396.6
    sec-butyl acetate 227.13
    tert-butyl acetate 357.89
    decalin 31.4
    glycerin 238.75
    diglyme 807.56
    acrylic acid 394.83
    isopropyl myristate 93.38
    n-butyric acid 505.8
    acetyl acetate 442.1
    di(2-ethylhexyl) phthalate 103.4
    ethyl propionate 303.23
    nitromethane 1593.4
    1,2-diethoxyethane 558.75
    benzonitrile 360.94
    trioctyl phosphate 61.97
    1-bromopropane 535.56
    gamma-valerolactone 1026.53
    n-decanol 49.62
    triethyl phosphate 136.17
    4-methyl-2-pentanol 98.87
    propionitrile 453.46
    vinylene carbonate 471.78
    1,1,2-trichlorotrifluoroethane 745.82
    DMS 329.6
    cumene 83.19
    2-octanol 44.39
    2-hexanone 328.65
    octyl acetate 111.81
    limonene 95.93
    1,2-dimethoxyethane 851.9
    ethyl orthosilicate 129.79
    tributyl phosphate 104.88
    diacetone alcohol 336.24
    N,N-dimethylaniline 222.94
    acrylonitrile 655.34
    aniline 342.51
    1,3-propanediol 335.52
    bromobenzene 518.59
    dibromomethane 1239.11
    1,1,2,2-tetrachloroethane 1731.52
    2-methyl-cyclohexyl acetate 199.59
    tetrabutyl urea 130.62
    diisobutyl methanol 70.52
    2-phenylethanol 208.99
    styrene 214.18
    dioctyl adipate 165.37
    dimethyl sulfate 458.42
    ethyl butyrate 262.55
    methyl lactate 198.83
    butyl lactate 145.26
    diethyl carbonate 207.47
    propanediol butyl ether 191.02
    triethyl orthoformate 177.04
    p-tert-butyltoluene 62.88
    methyl 4-tert-butylbenzoate 214.39
    morpholine 1054.22
    tert-butylamine 215.76
    n-dodecanol 39.18
    dimethoxymethane 652.94
    ethylene carbonate 398.07
    cyrene 247.65
    2-ethoxyethyl acetate 331.47
    2-ethylhexyl acetate 253.97
    1,2,4-trichlorobenzene 493.46
    4-methylpyridine 696.65
    dibutyl ether 160.05
    2,6-dimethyl-4-heptanol 70.52
    DEF 646.69
    dimethyl isosorbide 442.03
    tetrachloroethylene 969.36
    eugenol 229.66
    triacetin 302.06
    span 80 202.66
    1,4-butanediol 138.59
    1,1-dichloroethane 984.17
    2-methyl-1-pentanol 224.38
    methyl formate 393.03
    2-methyl-1-butanol 236.11
    n-decane 9.29
    butyronitrile 407.98
    3,7-dimethyl-1-octanol 91.85
    1-chlorooctane 60.02
    1-chlorotetradecane 25.51
    n-nonane 8.25
    undecane 7.34
    tert-butylcyclohexane 27.73
    cyclooctane 9.14
    cyclopentanol 199.21
    tetrahydropyran 647.64
    tert-amyl methyl ether 265.03
    2,5,8-trioxanonane 561.69
    1-hexene 153.51
    2-isopropoxyethanol 314.39
    2,2,2-trifluoroethanol 237.0
    methyl butyrate 417.47

    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

Botanical

Name CAS Botanical Proportion
Artemisia judaica (Israel) 1 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 0.51%
Artemisia judaica (Egypt) 1 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 0.24%
Artemisia judaica (Egypt) 2 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 0.21%
Narcissus poeticus absolute 8023-75-4 Narcissus poeticus L., fam. Amaryllidaceae 0.1%
Kaempferia galanga rhizome (Malaysia) Kaempferia galanga L. (Alpinia sessilis Kon.), fam. Zingiberaceae 0.01%
Artemisia judaica (Israel) 2 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 0.15%
Daphne tangutica flower concrete (China) Daphne tangutica Maxim., fam. Thymelaeaceae 0.1%
Hedychium coronarium flower headspace (China) Hedychium coronarium Koenig, fam. Zingiberaceae 0.22%
Vassoura (Brazil) 3 Baccharis dracunculifolia DC., fam. Asteraceae (Compositae) 0.08%
Caraway herb (Mongolia) 8000-42-8 Carum carvi L., fam. Apiaceae (Umbelliferae) 0.1%
Laurel leaf (Mongolia) 8006-78-8 Laurus nobilis L., fam. Lauraceae 0.1%
Banana passa headspace extract (Brazil) 89957-82-4 Musa cavendishii cultivar nanica, fam. Musaceae 0.2%
Nepeta argolica (Greece) 2 Nepeta argolica Bory et Chaub. ssp. argolica, fam. Lamiaceae (Labiatae) 0.05%