Hydrocinnamic acid

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  • Identifiers

    CAS number
    501-52-0

    Molecular formula
    C9H10O2

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

  • Odor profile

    Floral 84.26%
    Sweet 84.15%
    Honey 79.16%
    Balsamic 62.07%
    Rose 61.79%
    Powdery 46.4%
    Waxy 44.21%
    Chocolate 38.95%
    Cinnamon 37.66%
    Fatty 37.5%

    Scent© AI

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    7.31 (neutral)

    Molecular weight
    150.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 107 °C
    • 45 - 48 °C

    Boiling point

    • 279.8 °C
    • 280.00 °C. @ 760.00 mm Hg

    Flash point est.
    145.16 ˚C

    Solubility expt.

    • 5900 mg/L (at 20 °C)
    • 5.9 mg/mL
    • slightly soluble in water; soluble in oils
    • moderately soluble (in ethanol)

  • Synonyms

    • hydrocinnamic acid
    • 3-phenylpropionic acid
    • 3-Phenylpropanoic acid
    • 501-52-0
    • Benzenepropanoic acid
    • Benzylacetic acid
    • Dihydrocinnamic acid
    • Benzenepropionic acid
    • 3-Phenyl propionic acid
    • 3-Phenyl-propionic acid
    • BETA-PHENYLPROPIONIC ACID
    • Phenylpropanoic acid
    • Phenylpropanoate
    • FEMA No. 2889
    • Phenylpropionic acid
    • beta-phenylpropionate
    • NSC 9272
    • PHENYL PROPIONIC ACID
    • hydrocinnamate
    • MFCD00002771
    • Hydrozimtsaeure
    • CCRIS 3199
    • .beta.-Phenylpropanoic acid
    • EINECS 207-924-5
    • BRN 0907515
    • 3-Phenylpropionsaeure
    • 5Q445IN5CU
    • DTXSID2047064
    • CHEBI:28631
    • AI3-00892
    • NSC-9272
    • CHEMBL851
    • .beta.-Phenylpropionic acid
    • HYDROCINNAMIC ACID [MI]
    • DTXCID0027064
    • HYDROCINNAMIC-D5 ACID
    • 35845-62-6
    • 4-09-00-01752 (Beilstein Handbook Reference)
    • 3-PHENYLPROPIONIC ACID [FHFI]
    • 3PP
    • Hydrocinnamic Acid (3-Phenylpropanoic Acid)
    • 3-PHENYLPROPIONIC ACID3-Phenyl-propionic acid
    • HCI
    • 3-Phenylpropionic acid;3-Phenylpropanoic acid;3-Phenyl-n-propionic acid
    • UNII-5Q445IN5CU
    • Dihydrocinnamate
    • hydrocinnamicacid
    • Benzenepropionate
    • Hyrocinnamic acid
    • b-Phenylpropionate
    • w-Phenylpropanoate
    • 1ahx
    • 1tog
    • 1toi
    • 1toj
    • 3phenylpropanoic acid
    • 3phenylpropionic acid
    • omega-Phenylpropanoate
    • 3-phenylproionic acid
    • b-Phenylpropionic acid
    • w-Phenylpropanoic acid
    • 3-Phenyl-n-propionate
    • betaPhenylpropionic acid
    • beta-Phenylpropioic acid
    • 3-phenyl-propanoic acid
    • 3-Phenyl propanoic acid
    • beta-phenylpropanoic acid
    • omega-Phenylpropanoic acid
    • Hydrocinnamic acid, 99%
    • Hydrocinnamic acid (8CI)
    • 3-Phenyl-n-propionic acid
    • 3-phenylpropionic acid D5
    • bmse000675
    • I(2)-phenylpropionic acid
    • propanoic acid, 3-phenyl-
    • SCHEMBL3419
    • Hydrocinnamic acid (Standard)
    • HY-Y1088R
    • NSC9272
    • 3-Phenylpropionic acid, 99%, FG
    • ARD181994D5
    • HY-Y1088
    • 3PP; 3-PHENYLPROPIONIC ACID
    • Tox21_302329
    • BBL011572
    • BDBM50304072
    • s6254
    • STK286011
    • AKOS000119624
    • BS-3829
    • CS-W019781
    • DB02024
    • FH23881
    • Hydrocinnamic acid, analytical standard
    • NCGC00256189-01
    • BP-21020
    • CAS-501-52-0
    • SY001654
    • DB-014319
    • H0183
    • NS00002042
    • EN300-17962
    • C05629
    • Q4358522
    • Z57127332
    • F2191-0065
    • E76D1F9D-CBB1-4B91-8949-75B4F6F4C481
    • Benzenepropanoic acid;3-Phenyl-n-propionic acid;3-Phenylpropanoic acid
    • Hydrocinnamic acid; 3-Phenylpropanoic acid; beta-Phenylpropionic acid
    • 207-924-5

  • Applications

    3-Phenylpropionic acid (CAS 501-52-0) is widely employed as a key intermediate in pharmaceutical synthesis (providing a phenethyl scaffold for anticonvulsants and anti-inflammatory agents), as a semi-finished component in natural fragrance and flavor formulations owing to its mild honey-floral odor, as a precursor to esters for fine perfumery, and in the manufacture of specialty plasticizers and polyester resins; it is also used as an analytical reference standard to investigate aromatic fatty acid metabolism, supporting work in microbiology, gut-biome studies, and the development of bio-oxidation inhibitors, thereby bridging applications that span flavor & fragrance, advanced materials, and biomedical research.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 139.9
    methanol 293.18
    isopropanol 47.37
    water 7.29
    ethyl acetate 90.71
    n-propanol 76.2
    acetone 161.98
    n-butanol 54.56
    acetonitrile 32.63
    DMF 346.58
    toluene 11.0
    isobutanol 48.73
    1,4-dioxane 80.8
    methyl acetate 77.91
    THF 186.3
    2-butanone 101.43
    n-pentanol 59.04
    sec-butanol 51.62
    n-hexane 1.39
    ethylene glycol 133.25
    NMP 444.63
    cyclohexane 0.51
    DMSO 449.96
    n-butyl acetate 83.51
    n-octanol 25.88
    chloroform 11.4
    n-propyl acetate 75.77
    acetic acid 154.47
    dichloromethane 16.92
    cyclohexanone 121.18
    propylene glycol 109.23
    isopropyl acetate 62.39
    DMAc 431.86
    2-ethoxyethanol 209.35
    isopentanol 70.85
    n-heptane 1.46
    ethyl formate 61.36
    1,2-dichloroethane 29.16
    n-hexanol 76.05
    2-methoxyethanol 305.26
    isobutyl acetate 45.02
    tetrachloromethane 5.29
    n-pentyl acetate 35.85
    transcutol 779.78
    n-heptanol 33.35
    ethylbenzene 13.75
    MIBK 71.28
    2-propoxyethanol 186.42
    tert-butanol 101.64
    MTBE 49.03
    2-butoxyethanol 98.56
    propionic acid 142.7
    o-xylene 17.71
    formic acid 173.96
    diethyl ether 21.35
    m-xylene 17.44
    p-xylene 15.26
    chlorobenzene 15.83
    dimethyl carbonate 69.78
    n-octane 0.56
    formamide 320.94
    cyclopentanone 239.74
    2-pentanone 90.04
    anisole 75.17
    cyclopentyl methyl ether 74.27
    gamma-butyrolactone 324.19
    1-methoxy-2-propanol 191.84
    pyridine 52.95
    3-pentanone 55.59
    furfural 231.87
    n-dodecane 0.62
    diethylene glycol 212.57
    diisopropyl ether 14.27
    tert-amyl alcohol 103.15
    acetylacetone 156.71
    n-hexadecane 0.71
    acetophenone 82.07
    methyl propionate 104.76
    isopentyl acetate 78.62
    trichloroethylene 60.14
    n-nonanol 23.1
    cyclohexanol 38.17
    benzyl alcohol 70.43
    2-ethylhexanol 43.48
    isooctanol 28.94
    dipropyl ether 29.6
    1,2-dichlorobenzene 26.81
    ethyl lactate 60.74
    propylene carbonate 147.98
    n-methylformamide 267.93
    2-pentanol 37.65
    n-pentane 0.61
    1-propoxy-2-propanol 122.76
    1-methoxy-2-propyl acetate 119.98
    2-(2-methoxypropoxy) propanol 131.59
    mesitylene 11.74
    ε-caprolactone 135.25
    p-cymene 13.6
    epichlorohydrin 223.66
    1,1,1-trichloroethane 19.91
    2-aminoethanol 182.29
    morpholine-4-carbaldehyde 326.95
    sulfolane 478.47
    2,2,4-trimethylpentane 1.86
    2-methyltetrahydrofuran 117.61
    n-hexyl acetate 56.45
    isooctane 1.52
    2-(2-butoxyethoxy)ethanol 189.75
    sec-butyl acetate 50.93
    tert-butyl acetate 89.58
    decalin 2.26
    glycerin 195.44
    diglyme 313.66
    acrylic acid 133.41
    isopropyl myristate 21.82
    n-butyric acid 126.8
    acetyl acetate 56.37
    di(2-ethylhexyl) phthalate 33.83
    ethyl propionate 70.5
    nitromethane 307.0
    1,2-diethoxyethane 86.8
    benzonitrile 45.04
    trioctyl phosphate 23.11
    1-bromopropane 6.39
    gamma-valerolactone 310.48
    n-decanol 17.3
    triethyl phosphate 36.06
    4-methyl-2-pentanol 35.34
    propionitrile 29.16
    vinylene carbonate 101.57
    1,1,2-trichlorotrifluoroethane 206.89
    DMS 74.87
    cumene 14.03
    2-octanol 17.67
    2-hexanone 78.49
    octyl acetate 30.2
    limonene 17.25
    1,2-dimethoxyethane 190.16
    ethyl orthosilicate 33.43
    tributyl phosphate 30.23
    diacetone alcohol 187.9
    N,N-dimethylaniline 57.2
    acrylonitrile 54.48
    aniline 37.32
    1,3-propanediol 159.35
    bromobenzene 11.47
    dibromomethane 7.84
    1,1,2,2-tetrachloroethane 49.4
    2-methyl-cyclohexyl acetate 54.77
    tetrabutyl urea 46.24
    diisobutyl methanol 24.51
    2-phenylethanol 66.39
    styrene 13.07
    dioctyl adipate 45.19
    dimethyl sulfate 171.54
    ethyl butyrate 59.45
    methyl lactate 106.99
    butyl lactate 58.85
    diethyl carbonate 42.57
    propanediol butyl ether 126.7
    triethyl orthoformate 42.76
    p-tert-butyltoluene 13.09
    methyl 4-tert-butylbenzoate 77.67
    morpholine 121.3
    tert-butylamine 37.4
    n-dodecanol 12.19
    dimethoxymethane 144.51
    ethylene carbonate 81.11
    cyrene 123.9
    2-ethoxyethyl acetate 78.14
    2-ethylhexyl acetate 55.09
    1,2,4-trichlorobenzene 40.42
    4-methylpyridine 65.17
    dibutyl ether 20.47
    2,6-dimethyl-4-heptanol 24.51
    DEF 138.61
    dimethyl isosorbide 192.05
    tetrachloroethylene 38.94
    eugenol 86.05
    triacetin 85.73
    span 80 88.68
    1,4-butanediol 86.98
    1,1-dichloroethane 13.77
    2-methyl-1-pentanol 77.6
    methyl formate 154.07
    2-methyl-1-butanol 69.95
    n-decane 0.98
    butyronitrile 28.53
    3,7-dimethyl-1-octanol 33.63
    1-chlorooctane 6.88
    1-chlorotetradecane 2.89
    n-nonane 0.81
    undecane 0.77
    tert-butylcyclohexane 3.19
    cyclooctane 0.4
    cyclopentanol 59.75
    tetrahydropyran 31.85
    tert-amyl methyl ether 52.3
    2,5,8-trioxanonane 215.57
    1-hexene 8.69
    2-isopropoxyethanol 148.48
    2,2,2-trifluoroethanol 78.38
    methyl butyrate 96.29

    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
Cassia, bark (China) 2 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.01%
Styrax (Honduras) 8024-01-9 Liquidambar styraciflua L., fam. Hamamelidaceae 0.1%
Zizyphus jujuba fruit (Malaysia) Zizyphus jujuba Mill. var. inermis, fam. Rhamnaceae 0.08%
Cassia, bark (China) 4a 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.12%
Cassia, leaf (China) 4b 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.35%