Guaiacol propionate

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  • Identifiers

    CAS number
    7598-60-9

    Molecular formula
    C10H12O3

    SMILES
    CCC(=O)OC1=CC=CC=C1OC

  • Odor profile

    Fragrance
    Fruity 76.86%
    Sweet 55.0%
    Vanilla 53.67%
    Caramellic 45.12%
    Phenolic 43.54%
    Nutty 39.13%
    Spicy 38.87%
    Creamy 37.37%
    Woody 34.7%
    Berry 33.03%

     

    Flavor
    Sweet 81.26%
    Woody 54.18%
    Floral 43.86%
    Fruity 43.19%
    Powdery 40.52%
    Spice 40.26%
    Spicy 38.18%
    Vanilla 37.54%
    Creamy 36.66%
    Balsam 35.18%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    7.27 (neutral)

    Molecular weight
    180.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    252°C

    Flash point

    • 101.09 ˚C est.

    Solubility expt.

    • Practically insoluble or insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Guaiacol propionate
    • (2-methoxyphenyl) propanoate
    • 7598-60-9
    • 2-Methoxyphenyl propionate
    • Guaiacyl propionate
    • Propionyl guaiacolate
    • FEMA No. 4609
    • Phenol, o-methoxy-, propionate
    • NSC-407845
    • Phenol, 2-methoxy-, propanoate
    • Phenol, 2-methoxy-, 1-propanoate
    • UNII-Z7SCO70Q61
    • Propionic acid, o-methoxyphenyl ester
    • Z7SCO70Q61
    • 2-METHOXYPHENYL PROPANOATE
    • DTXSID60226880
    • (2-methoxyphenyl)propanoate
    • NSC407845
    • Guaiacol propionic acid
    • SCHEMBL362210
    • 2-Methoxyphenyl propanoic acid
    • DTXCID90149371
    • UYXMBPVOGLUKIV-UHFFFAOYSA-N
    • MFCD00462467
    • AKOS030255138
    • SY348112
    • WS-03245
    • NS00125868
    • Q27295113

  • Applications

    Guaiacol propionate (CAS 7598-60-9), an esterified derivative of guaiacol, finds broad utility across pharmaceuticals, flavors and chemical industry: in medicine it acts as a slow-release pro-drug of guaiacol with expectorant, antitussive and mild analgesic effects, thus it is incorporated into cough syrups, sustained-release tablets and veterinary respiratory remedies; the propionate moiety provides higher lipophilicity, prolonged residence time and reduced mucosal irritation while enhancing palatability; endowed with a subtle smoky-sweet odor, the compound is also used as a flavor modifier in tobacco blends, roasted foods and beverages to impart caramel-vanilla depth; in organic synthesis it serves as an intermediate for local anesthetics, preservatives, phenoxy-based agrochemicals and UV stabilizers for polymers; furthermore, owing to its antibacterial and antioxidant activities, Guaiacol propionate is exploited in cosmetic creams, topical veterinary sprays and specialized industrial cleaning solutions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 570.73
    methanol 819.22
    isopropanol 392.74
    water 2.96
    ethyl acetate 1194.81
    n-propanol 411.98
    acetone 1519.62
    n-butanol 372.49
    acetonitrile 1527.37
    DMF 1245.52
    toluene 482.83
    isobutanol 315.83
    1,4-dioxane 1342.96
    methyl acetate 1242.57
    THF 1151.27
    2-butanone 1004.7
    n-pentanol 313.76
    sec-butanol 390.88
    n-hexane 57.81
    ethylene glycol 158.92
    NMP 965.81
    cyclohexane 173.72
    DMSO 1295.12
    n-butyl acetate 654.67
    n-octanol 211.72
    chloroform 3153.89
    n-propyl acetate 737.85
    acetic acid 1215.36
    dichloromethane 4067.82
    cyclohexanone 1090.12
    propylene glycol 111.94
    isopropyl acetate 493.98
    DMAc 1089.2
    2-ethoxyethanol 615.62
    isopentanol 344.99
    n-heptane 47.8
    ethyl formate 881.04
    1,2-dichloroethane 2056.6
    n-hexanol 259.33
    2-methoxyethanol 820.59
    isobutyl acetate 351.34
    tetrachloromethane 390.06
    n-pentyl acetate 329.04
    transcutol 1111.21
    n-heptanol 153.25
    ethylbenzene 324.65
    MIBK 329.52
    2-propoxyethanol 443.18
    tert-butanol 634.0
    MTBE 621.52
    2-butoxyethanol 293.5
    propionic acid 595.92
    o-xylene 319.02
    formic acid 383.4
    diethyl ether 720.82
    m-xylene 286.85
    p-xylene 466.17
    chlorobenzene 817.88
    dimethyl carbonate 447.36
    n-octane 32.46
    formamide 878.33
    cyclopentanone 1166.73
    2-pentanone 684.89
    anisole 654.27
    cyclopentyl methyl ether 490.61
    gamma-butyrolactone 1541.34
    1-methoxy-2-propanol 442.43
    pyridine 1466.61
    3-pentanone 614.4
    furfural 1458.18
    n-dodecane 33.15
    diethylene glycol 369.99
    diisopropyl ether 160.8
    tert-amyl alcohol 510.32
    acetylacetone 888.97
    n-hexadecane 37.84
    acetophenone 633.89
    methyl propionate 752.18
    isopentyl acetate 460.34
    trichloroethylene 3769.43
    n-nonanol 180.54
    cyclohexanol 431.75
    benzyl alcohol 481.53
    2-ethylhexanol 200.4
    isooctanol 129.87
    dipropyl ether 260.47
    1,2-dichlorobenzene 726.52
    ethyl lactate 236.66
    propylene carbonate 873.77
    n-methylformamide 805.02
    2-pentanol 251.35
    n-pentane 54.55
    1-propoxy-2-propanol 276.3
    1-methoxy-2-propyl acetate 376.4
    2-(2-methoxypropoxy) propanol 294.47
    mesitylene 180.1
    ε-caprolactone 907.55
    p-cymene 157.31
    epichlorohydrin 1736.74
    1,1,1-trichloroethane 1550.66
    2-aminoethanol 238.61
    morpholine-4-carbaldehyde 966.71
    sulfolane 1374.95
    2,2,4-trimethylpentane 39.52
    2-methyltetrahydrofuran 876.45
    n-hexyl acetate 490.36
    isooctane 23.94
    2-(2-butoxyethoxy)ethanol 389.5
    sec-butyl acetate 377.39
    tert-butyl acetate 430.74
    decalin 73.57
    glycerin 192.17
    diglyme 872.04
    acrylic acid 613.23
    isopropyl myristate 180.78
    n-butyric acid 724.34
    acetyl acetate 803.39
    di(2-ethylhexyl) phthalate 152.97
    ethyl propionate 591.54
    nitromethane 2441.68
    1,2-diethoxyethane 534.29
    benzonitrile 807.88
    trioctyl phosphate 119.86
    1-bromopropane 809.48
    gamma-valerolactone 1226.74
    n-decanol 134.98
    triethyl phosphate 212.56
    4-methyl-2-pentanol 141.49
    propionitrile 854.93
    vinylene carbonate 982.81
    1,1,2-trichlorotrifluoroethane 967.2
    DMS 469.83
    cumene 190.32
    2-octanol 137.37
    2-hexanone 526.41
    octyl acetate 232.48
    limonene 203.95
    1,2-dimethoxyethane 1194.8
    ethyl orthosilicate 193.14
    tributyl phosphate 164.36
    diacetone alcohol 371.37
    N,N-dimethylaniline 366.23
    acrylonitrile 1221.11
    aniline 530.89
    1,3-propanediol 376.45
    bromobenzene 980.19
    dibromomethane 2211.98
    1,1,2,2-tetrachloroethane 2340.98
    2-methyl-cyclohexyl acetate 291.93
    tetrabutyl urea 205.42
    diisobutyl methanol 122.21
    2-phenylethanol 339.19
    styrene 464.49
    dioctyl adipate 257.38
    dimethyl sulfate 564.95
    ethyl butyrate 491.34
    methyl lactate 247.93
    butyl lactate 210.06
    diethyl carbonate 386.92
    propanediol butyl ether 236.46
    triethyl orthoformate 270.07
    p-tert-butyltoluene 141.71
    methyl 4-tert-butylbenzoate 323.87
    morpholine 1159.94
    tert-butylamine 378.86
    n-dodecanol 109.32
    dimethoxymethane 808.79
    ethylene carbonate 799.91
    cyrene 304.49
    2-ethoxyethyl acetate 443.25
    2-ethylhexyl acetate 379.14
    1,2,4-trichlorobenzene 781.04
    4-methylpyridine 1180.4
    dibutyl ether 303.72
    2,6-dimethyl-4-heptanol 122.21
    DEF 790.87
    dimethyl isosorbide 464.82
    tetrachloroethylene 1671.81
    eugenol 324.73
    triacetin 430.86
    span 80 229.35
    1,4-butanediol 184.48
    1,1-dichloroethane 1734.29
    2-methyl-1-pentanol 309.22
    methyl formate 907.86
    2-methyl-1-butanol 326.09
    n-decane 48.48
    butyronitrile 785.35
    3,7-dimethyl-1-octanol 183.04
    1-chlorooctane 193.82
    1-chlorotetradecane 83.89
    n-nonane 47.61
    undecane 38.73
    tert-butylcyclohexane 58.34
    cyclooctane 45.7
    cyclopentanol 421.68
    tetrahydropyran 1022.96
    tert-amyl methyl ether 421.53
    2,5,8-trioxanonane 551.82
    1-hexene 216.34
    2-isopropoxyethanol 386.4
    2,2,2-trifluoroethanol 418.97
    methyl butyrate 838.95

    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