Methyl 3-phenylpropionate

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    103-25-3

    Molecular formula
    C10H12O2

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

    Retention indicies (RI)

    • Carbowax: 1842.0

  • Odor profile

    Fruity 93.88%
    Sweet 86.81%
    Floral 86.08%
    Balsamic 64.15%
    Honey 61.36%
    Rose 58.93%
    Spicy 51.62%
    Tropical 41.51%
    Apricot 41.2%
    Pineapple 39.31%

    Scent© AI

  • Properties

    XLogP3-AA
    2.3

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 91.00 to 92.00 °C. @ 4.00 mm Hg

    Flash point est.
    106.58 ˚C

    Solubility expt.

    • insoluble in water
    • miscible (in ethanol)

  • Synonyms

    • Methyl 3-phenylpropionate
    • 103-25-3
    • Methyl 3-phenylpropanoate
    • Methyl hydrocinnamate
    • Benzenepropanoic acid, methyl ester
    • 3-Phenylpropionic Acid Methyl Ester
    • Methyl benzenepropanoate
    • Hydrocinnamic acid, methyl ester
    • 3-Phenylpropanoic acid methyl ester
    • Methyl dihydrocinnamate
    • Methyl beta-phenylpropionate
    • METHYL PHENYLPROPIONATE
    • FEMA No. 2741
    • MFCD00017209
    • UNII-111LC1GI10
    • Dihydromethyl cinnamate
    • 111LC1GI10
    • EINECS 203-092-2
    • NSC 10128
    • NSC-10128
    • beta-Phenylpropionic acid methyl ester
    • Methyl (3-phenyI) propanoate
    • Methyl .beta.-phenylpropionate
    • AI3-02453
    • DTXSID2059271
    • CHEBI:89875
    • FEMA 2741
    • .beta.-Phenylpropionic acid methyl ester
    • METHYL 3-PHENYLPROPIONATE [FHFI]
    • Methyl ester of .beta.-Phenylpropionic acid
    • Methyl 3-?Phenylpropionate(3-Phenylpropionic Acid Methyl Ester)
    • Methyl3-phenylpropionate
    • Methyl beta -phenylpropionate
    • Methyl 3-phenylpropanoic acid
    • SCHEMBL168711
    • CHEMBL2252087
    • dihydrocinnamic acid methyl ester
    • DTXCID8032758
    • METHYL-3-PHENYLPROPIONATE
    • benzenepropanoic acid methyl ester
    • Methyl 3-Phenylpropionate(3-Phenylpropionic Acid Methyl Ester)
    • NSC10128
    • 3-phenyl-propanoic acid methyl ester
    • 3-phenyl-propionic acid methyl ester
    • AC8659
    • LMFA07010951
    • NSC404188
    • 3-Phenylpropionic Acid, Methyl Ester
    • AKOS000295897
    • beta -phenylpropionic acid methyl ester
    • CS-W007828
    • FM37958
    • GS-3019
    • HY-W007828
    • NSC-404188
    • Hydrocinnamic acid, methyl ester (8CI)
    • Methyl esterof beta-Phenylpropionic acid
    • Methyl esterof beta -phenylpropionic acid
    • Methyl ester of beta-Phenylpropionic acid
    • SY017877
    • DB-014868
    • M1786
    • NS00012984
    • EN300-84976
    • Q27162059
    • Z18264384
    • 203-092-2

  • Applications

    Methyl 3-phenylpropionate (also known as methyl hydrocinnamate, CAS 103-25-3) is an aromatic ester with a sweet fruity–floral, honeyed, slightly balsamic odor, widely used as a fragrance ingredient and fixative in fine perfumes, personal care products (shampoos, body washes, creams), detergents and fabric softeners, deodorants, candles, and home-care air care; in food and beverage applications it serves as a flavoring agent for berry, plum, apple–pear, grape, vanilla–cream, caramel, or floral notes, rounding and extending the finish in confectionery, dairy and yogurt, baked goods, and drinks; in organic synthesis it functions as an intermediate to access hydrocinnamic derivatives, the corresponding alcohols/amides, and phenethyl-containing scaffolds for aroma chemicals, cosmetically relevant materials, and agrochemical auxiliaries, and as a model substrate in studies of ester transformations (esterification, transesterification, hydrolysis, enzyme/lipase catalysis), reductions, and aromatic functionalization; thanks to its good odor stability, moderate volatility, and broad formulation compatibility, methyl 3-phenylpropionate helps optimize scent profiles, enhance substantivity, and improve product stability.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 358.31
    methanol 521.59
    isopropanol 173.61
    water 1.07
    ethyl acetate 629.63
    n-propanol 212.67
    acetone 277.27
    n-butanol 165.11
    acetonitrile 477.09
    DMF 575.34
    toluene 170.82
    isobutanol 115.04
    1,4-dioxane 959.27
    methyl acetate 456.08
    THF 404.74
    2-butanone 319.31
    n-pentanol 138.41
    sec-butanol 138.24
    n-hexane 5.48
    ethylene glycol 97.3
    NMP 285.61
    cyclohexane 9.23
    DMSO 640.94
    n-butyl acetate 203.32
    n-octanol 30.32
    chloroform 1144.99
    n-propyl acetate 223.72
    acetic acid 409.33
    dichloromethane 1154.03
    cyclohexanone 311.81
    propylene glycol 104.5
    isopropyl acetate 226.77
    DMAc 606.04
    2-ethoxyethanol 396.65
    isopentanol 145.12
    n-heptane 3.8
    ethyl formate 229.85
    1,2-dichloroethane 708.84
    n-hexanol 95.02
    2-methoxyethanol 566.31
    isobutyl acetate 118.27
    tetrachloromethane 70.46
    n-pentyl acetate 73.66
    transcutol 1631.74
    n-heptanol 34.46
    ethylbenzene 80.01
    MIBK 138.39
    2-propoxyethanol 247.02
    tert-butanol 252.08
    MTBE 223.47
    2-butoxyethanol 119.47
    propionic acid 261.71
    o-xylene 94.94
    formic acid 252.12
    diethyl ether 336.32
    m-xylene 80.6
    p-xylene 87.43
    chlorobenzene 226.66
    dimethyl carbonate 167.57
    n-octane 1.71
    formamide 538.97
    cyclopentanone 319.27
    2-pentanone 220.19
    anisole 290.48
    cyclopentyl methyl ether 174.92
    gamma-butyrolactone 478.65
    1-methoxy-2-propanol 295.68
    pyridine 664.93
    3-pentanone 202.07
    furfural 539.81
    n-dodecane 1.84
    diethylene glycol 244.95
    diisopropyl ether 52.41
    tert-amyl alcohol 187.48
    acetylacetone 355.32
    n-hexadecane 2.16
    acetophenone 227.03
    methyl propionate 338.91
    isopentyl acetate 169.04
    trichloroethylene 1416.66
    n-nonanol 30.59
    cyclohexanol 104.76
    benzyl alcohol 192.42
    2-ethylhexanol 59.7
    isooctanol 32.08
    dipropyl ether 83.77
    1,2-dichlorobenzene 212.84
    ethyl lactate 91.37
    propylene carbonate 242.36
    n-methylformamide 371.9
    2-pentanol 88.38
    n-pentane 4.04
    1-propoxy-2-propanol 145.25
    1-methoxy-2-propyl acetate 233.47
    2-(2-methoxypropoxy) propanol 185.08
    mesitylene 44.95
    ε-caprolactone 293.53
    p-cymene 36.1
    epichlorohydrin 798.22
    1,1,1-trichloroethane 399.56
    2-aminoethanol 188.78
    morpholine-4-carbaldehyde 562.5
    sulfolane 449.19
    2,2,4-trimethylpentane 6.24
    2-methyltetrahydrofuran 300.94
    n-hexyl acetate 104.12
    isooctane 3.91
    2-(2-butoxyethoxy)ethanol 261.11
    sec-butyl acetate 148.41
    tert-butyl acetate 223.13
    decalin 11.18
    glycerin 180.69
    diglyme 593.21
    acrylic acid 235.25
    isopropyl myristate 42.96
    n-butyric acid 303.84
    acetyl acetate 302.0
    di(2-ethylhexyl) phthalate 52.89
    ethyl propionate 214.25
    nitromethane 891.91
    1,2-diethoxyethane 346.79
    benzonitrile 219.99
    trioctyl phosphate 27.97
    1-bromopropane 229.62
    gamma-valerolactone 552.54
    n-decanol 22.78
    triethyl phosphate 82.37
    4-methyl-2-pentanol 56.6
    propionitrile 299.62
    vinylene carbonate 277.58
    1,1,2-trichlorotrifluoroethane 471.75
    DMS 181.43
    cumene 49.13
    2-octanol 20.31
    2-hexanone 162.78
    octyl acetate 50.23
    limonene 47.05
    1,2-dimethoxyethane 607.75
    ethyl orthosilicate 80.01
    tributyl phosphate 48.63
    diacetone alcohol 222.63
    N,N-dimethylaniline 151.4
    acrylonitrile 428.22
    aniline 243.73
    1,3-propanediol 248.85
    bromobenzene 236.71
    dibromomethane 588.86
    1,1,2,2-tetrachloroethane 974.67
    2-methyl-cyclohexyl acetate 111.92
    tetrabutyl urea 59.85
    diisobutyl methanol 38.0
    2-phenylethanol 129.54
    styrene 131.44
    dioctyl adipate 85.19
    dimethyl sulfate 240.04
    ethyl butyrate 161.3
    methyl lactate 125.03
    butyl lactate 71.13
    diethyl carbonate 133.8
    propanediol butyl ether 114.66
    triethyl orthoformate 115.68
    p-tert-butyltoluene 34.08
    methyl 4-tert-butylbenzoate 129.04
    morpholine 854.62
    tert-butylamine 124.4
    n-dodecanol 17.69
    dimethoxymethane 409.56
    ethylene carbonate 219.12
    cyrene 161.19
    2-ethoxyethyl acetate 197.46
    2-ethylhexyl acetate 133.15
    1,2,4-trichlorobenzene 274.66
    4-methylpyridine 458.83
    dibutyl ether 70.4
    2,6-dimethyl-4-heptanol 38.0
    DEF 356.54
    dimethyl isosorbide 287.36
    tetrachloroethylene 572.6
    eugenol 142.03
    triacetin 170.68
    span 80 115.99
    1,4-butanediol 90.0
    1,1-dichloroethane 497.47
    2-methyl-1-pentanol 131.4
    methyl formate 244.61
    2-methyl-1-butanol 128.46
    n-decane 2.97
    butyronitrile 224.55
    3,7-dimethyl-1-octanol 46.36
    1-chlorooctane 22.9
    1-chlorotetradecane 9.42
    n-nonane 2.51
    undecane 2.24
    tert-butylcyclohexane 10.48
    cyclooctane 3.08
    cyclopentanol 90.71
    tetrahydropyran 391.65
    tert-amyl methyl ether 151.84
    2,5,8-trioxanonane 382.59
    1-hexene 44.33
    2-isopropoxyethanol 225.08
    2,2,2-trifluoroethanol 139.77
    methyl butyrate 260.94

    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
Hyssop (Himalaya) 8006-83-5 Hyssopus officinalis L., fam. Lamiaceae (Labiatae) 0.08%
Narcissus poeticus absolute 8023-75-4 Narcissus poeticus L., fam. Amaryllidaceae 0.1%
Lycaste aromatica flower headspace Lycaste aromatica Lindl., fam Orchidaceae 1.3%
Dendrobium beckleri flower headspace Dendrobium beckleri Sw., fam. Orchidaceae 0.05%
Vassoura (Brazil) 3 Baccharis dracunculifolia DC., fam. Asteraceae (Compositae) 0.02%
Nepeta crassifolia Nepeta crassifolia Boiss. & Buhse, fam. Lamiaceae (Labiatae) 0.3%
Soursop, fruit Annona muricata L., fam. Annonaceae 0.2%
Nepeta argolica (Greece) 2 Nepeta argolica Bory et Chaub. ssp. argolica, fam. Lamiaceae (Labiatae) 0.1%