Propenyl Guaethol

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  • Identifiers

    CAS number
    94-86-0

    Molecular formula
    C11H14O2

    SMILES
    CCOC1=C(C=C(C=C1)/C=C/C)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Spicy 88.28%
    Sweet 77.37%
    Clove 65.02%
    Phenolic 64.81%
    Woody 60.53%
    Vanilla 55.51%
    Smoky 55.22%
    Balsamic 49.6%
    Warm 43.45%
    Floral 41.3%

     

    Flavor
    Spicy 63.67%
    Sweet 62.9%
    Clove 52.58%
    Floral 48.58%
    Spice 45.66%
    Woody 44.7%
    Bitter 40.2%
    Flower 37.1%
    Vanilla 36.86%
    Phenolic 34.5%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    9.35 (weak base)

    Molecular weight
    178.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 86 - 88 °C

    Boiling point

    • 312.00 to 313.00 °C. @ 760.00 mm Hg

    Flash point

    • 120.06 ˚C est.

    Solubility expt.

    • Insoluble in water
    • soluble (in ethanol)

  • Synonyms

    • Vanitrope
    • 94-86-0
    • Propenylguaethol
    • 2-Ethoxy-5-(1-propenyl)phenol
    • Isosafroeugenol
    • Propenyl guaethol
    • 2-Ethoxy-5-propenylphenol
    • trans-2-Ethoxy-5-(1-propenyl)phenol
    • 6-Ethoxy-m-anol
    • Hydroxy methyl anethol
    • 5-propenylguaethol
    • Hydroxymethyl anethole
    • 63477-41-8
    • FEMA No. 2922
    • Phenol, 2-ethoxy-5-propenyl-
    • 2-ethoxy-5-[(E)-prop-1-enyl]phenol
    • 2-Ethoxy-5-prop-1-enylphenol
    • 1-Ethoxy-2-hydroxy-4-propenylbenzene
    • Propenylguaethol [FCC]
    • Propenyl guaethol [II]
    • Propenylguaethol [FHFI]
    • NSC 5194
    • 2-ethoxy-5-[(1E)-prop-1-en-1-yl]phenol
    • 2-Ethoxy-5-propenyl-phenol
    • 2-ethoxy-5-(prop-1-en-1-yl)phenol
    • JP95W81L3F
    • NSC5194
    • PHENOL, 2-ETHOXY-5-(1-PROPENYL)-
    • NSC-5194
    • m-Anol, 6-ethoxy-
    • DTXCID1027716
    • DTXSID2047727
    • DTXSID7047726
    • 3-Propenyl-6-ethoxyphenol
    • 1-Ethoxy-2-hydroxy-4-propenybenzene
    • EINECS 202-370-0
    • BRN 2259898
    • AI3-25000
    • PROPENYL GUAETHOL (II)
    • 2-ethoxy-5-((1E)-prop-1-en-1-yl)phenol
    • UNII-JP95W81L3F
    • Propenylguaetol
    • Isosafroeugenole
    • Propenylguaethole
    • m-Anol
    • 6-ethoxy-
    • m-Anol,6-ethoxy-
    • MFCD00009283
    • VANIBON
    • WLN: 2U1R CQ DO2
    • DTXCID4032401
    • FEMA 2922
    • CHEBI:173836
    • Tox21_302539
    • Tox21_303945
    • BBL018765
    • STL195347
    • AKOS015838841
    • 2-Ethoxy-5-(1-propenyl)phenol, 9CI
    • AS-9932
    • CCG-357198
    • CS-W017326
    • 2-Ethoxy-5-[(1E)-1-propenyl]phenol
    • CAS-94-86-0
    • Propenyl guaethol, >=99%, FCC, FG
    • 2-ethoxy-5-[(E)-prop-1-enyl]-phenol
    • NCGC00256742-01
    • NCGC00357273-01
    • (E)-2-Ethoxy-5-(prop-1-en-1-yl)phenol
    • 1-Ethoxy-2-hydroxy-4-(1-propenyl)benzene
    • CAS-63477-41-8
    • E0804
    • trans-2-Ethoxy-5-(1-propenyl)phenol, 97%
    • D77808
    • InChI=1/C11H14O2/c1-3-5-9-6-7-11(13-4-2)10(12)8-9/h3,5-8,12H,4H2,1-2H3/b5-3

  • Applications

    Propenyl guaethol (CAS 94-86-0) is a premium flavour and fragrance ingredient with a warm sweet clove-vanilla note that is widely used in fine perfumery, soaps, cosmetics, toothpastes, scented candles and deodorants, while also serving as a flavour modifier for foods, beverages, confectionery and tobacco by adding warmth and depth; moreover, its natural antioxidant and antimicrobial properties allow it to be incorporated into food preservation systems, cough medicines, expectorant syrups and oral-care products, and it further functions as a versatile chemical intermediate for synthesising vanillin, alkyd resins, polymer stabilisers and crystalline aroma derivatives within the flavour and fragrance industry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1169.47
    methanol 1463.63
    isopropanol 694.01
    water 0.26
    ethyl acetate 1491.57
    n-propanol 868.19
    acetone 2463.64
    n-butanol 763.51
    acetonitrile 1362.03
    DMF 2256.13
    toluene 413.16
    isobutanol 542.44
    1,4-dioxane 1638.6
    methyl acetate 1251.3
    THF 2399.95
    2-butanone 1299.12
    n-pentanol 476.28
    sec-butanol 570.03
    n-hexane 138.45
    ethylene glycol 275.7
    NMP 1207.46
    cyclohexane 196.72
    DMSO 3324.21
    n-butyl acetate 1021.04
    n-octanol 231.73
    chloroform 1945.06
    n-propyl acetate 728.4
    acetic acid 890.53
    dichloromethane 2657.25
    cyclohexanone 1437.39
    propylene glycol 301.63
    isopropyl acetate 608.66
    DMAc 1008.09
    2-ethoxyethanol 751.42
    isopentanol 592.29
    n-heptane 72.26
    ethyl formate 706.01
    1,2-dichloroethane 2286.65
    n-hexanol 634.43
    2-methoxyethanol 1456.47
    isobutyl acetate 381.76
    tetrachloromethane 295.2
    n-pentyl acetate 386.35
    transcutol 2179.68
    n-heptanol 207.74
    ethylbenzene 211.73
    MIBK 550.68
    2-propoxyethanol 921.22
    tert-butanol 1078.21
    MTBE 1162.27
    2-butoxyethanol 375.83
    propionic acid 632.49
    o-xylene 210.02
    formic acid 247.08
    diethyl ether 1737.56
    m-xylene 269.79
    p-xylene 220.83
    chlorobenzene 674.94
    dimethyl carbonate 499.64
    n-octane 35.03
    formamide 564.0
    cyclopentanone 1782.59
    2-pentanone 1210.1
    anisole 514.02
    cyclopentyl methyl ether 1024.24
    gamma-butyrolactone 1824.41
    1-methoxy-2-propanol 962.76
    pyridine 1080.77
    3-pentanone 814.33
    furfural 1115.76
    n-dodecane 30.41
    diethylene glycol 707.36
    diisopropyl ether 324.96
    tert-amyl alcohol 721.65
    acetylacetone 1134.14
    n-hexadecane 35.86
    acetophenone 425.3
    methyl propionate 1111.74
    isopentyl acetate 684.12
    trichloroethylene 2923.12
    n-nonanol 202.79
    cyclohexanol 577.74
    benzyl alcohol 354.83
    2-ethylhexanol 309.76
    isooctanol 163.67
    dipropyl ether 460.96
    1,2-dichlorobenzene 528.37
    ethyl lactate 246.79
    propylene carbonate 804.32
    n-methylformamide 1006.23
    2-pentanol 503.23
    n-pentane 132.73
    1-propoxy-2-propanol 601.53
    1-methoxy-2-propyl acetate 641.39
    2-(2-methoxypropoxy) propanol 371.7
    mesitylene 173.32
    ε-caprolactone 1011.05
    p-cymene 135.47
    epichlorohydrin 2326.87
    1,1,1-trichloroethane 1383.49
    2-aminoethanol 442.2
    morpholine-4-carbaldehyde 1093.95
    sulfolane 2020.33
    2,2,4-trimethylpentane 63.36
    2-methyltetrahydrofuran 1484.63
    n-hexyl acetate 545.06
    isooctane 54.41
    2-(2-butoxyethoxy)ethanol 549.56
    sec-butyl acetate 388.85
    tert-butyl acetate 639.98
    decalin 87.39
    glycerin 397.83
    diglyme 1016.04
    acrylic acid 522.62
    isopropyl myristate 199.84
    n-butyric acid 872.47
    acetyl acetate 647.15
    di(2-ethylhexyl) phthalate 160.52
    ethyl propionate 564.12
    nitromethane 1861.25
    1,2-diethoxyethane 939.14
    benzonitrile 487.68
    trioctyl phosphate 140.87
    1-bromopropane 1204.85
    gamma-valerolactone 1556.98
    n-decanol 158.74
    triethyl phosphate 189.95
    4-methyl-2-pentanol 254.26
    propionitrile 892.53
    vinylene carbonate 696.53
    1,1,2-trichlorotrifluoroethane 1030.28
    DMS 518.33
    cumene 136.22
    2-octanol 156.75
    2-hexanone 634.68
    octyl acetate 250.98
    limonene 210.57
    1,2-dimethoxyethane 1269.29
    ethyl orthosilicate 192.26
    tributyl phosphate 190.06
    diacetone alcohol 629.82
    N,N-dimethylaniline 265.2
    acrylonitrile 1012.74
    aniline 523.87
    1,3-propanediol 616.38
    bromobenzene 770.2
    dibromomethane 1757.41
    1,1,2,2-tetrachloroethane 2052.61
    2-methyl-cyclohexyl acetate 301.35
    tetrabutyl urea 228.6
    diisobutyl methanol 168.27
    2-phenylethanol 371.06
    styrene 318.06
    dioctyl adipate 261.72
    dimethyl sulfate 720.26
    ethyl butyrate 487.17
    methyl lactate 372.49
    butyl lactate 270.3
    diethyl carbonate 317.2
    propanediol butyl ether 369.55
    triethyl orthoformate 282.68
    p-tert-butyltoluene 136.34
    methyl 4-tert-butylbenzoate 282.24
    morpholine 1819.14
    tert-butylamine 598.94
    n-dodecanol 124.56
    dimethoxymethane 1678.89
    ethylene carbonate 619.19
    cyrene 322.8
    2-ethoxyethyl acetate 558.04
    2-ethylhexyl acetate 518.59
    1,2,4-trichlorobenzene 595.06
    4-methylpyridine 943.56
    dibutyl ether 402.55
    2,6-dimethyl-4-heptanol 168.27
    DEF 1044.65
    dimethyl isosorbide 597.55
    tetrachloroethylene 1186.66
    eugenol 302.36
    triacetin 426.18
    span 80 308.53
    1,4-butanediol 251.42
    1,1-dichloroethane 1762.49
    2-methyl-1-pentanol 398.1
    methyl formate 896.43
    2-methyl-1-butanol 547.0
    n-decane 47.34
    butyronitrile 878.2
    3,7-dimethyl-1-octanol 227.17
    1-chlorooctane 207.68
    1-chlorotetradecane 85.07
    n-nonane 48.79
    undecane 37.16
    tert-butylcyclohexane 80.95
    cyclooctane 68.06
    cyclopentanol 551.99
    tetrahydropyran 1751.18
    tert-amyl methyl ether 632.09
    2,5,8-trioxanonane 632.16
    1-hexene 425.92
    2-isopropoxyethanol 502.71
    2,2,2-trifluoroethanol 250.27
    methyl butyrate 736.02

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.18 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.32 %
Category 2
Products applied to the axillae
 0.053 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.32 %
Category 3
Products applied to the face/body using fingertips
 0.11 % Category 8
Products with significant anogenital exposure
 0.071 %
Category 4
Products related to fine fragrance
 0.99 % Category 9
Products with body and hand exposure, primarily rinse off
 0.75 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.25 % Category 10A
Household care products with mostly hand contact
 0.75 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.21 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 3.7 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.25 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.071 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.071 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.071 %
Category 6
Products with oral and lip exposure
 0.58 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 58 %