Isochavibetol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    501-20-2

    Molecular formula
    C10H12O2

    SMILES
    C/C=C/C1=CC(=C(C=C1)OC)O

  • Odor profile

    Spicy 87.6%
    Sweet 84.32%
    Clove 66.73%
    Phenolic 65.77%
    Woody 64.3%
    Smoky 53.81%
    Vanilla 52.04%
    Floral 51.9%
    Balsamic 47.97%
    Warm 43.84%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    9.01 (weak base)

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    264°C

    Flash point est.
    113.44 ˚C

  • Synonyms

    • Isochavibetol
    • 19784-98-6
    • 501-20-2
    • 2-Methoxy-5-(1-propenyl)phenol
    • 2-methoxy-5-[(E)-prop-1-enyl]phenol
    • Phenol, 2-methoxy-5-(1-propenyl)-
    • 2-Methoxy-5-[(E)-1-propenyl]phenol
    • J6ECE44D0E
    • (E)-2-Methoxy-5-(prop-1-en-1-yl)phenol
    • EINECS 207-920-3
    • 2-METHOXY-5-PROPENYLPHENOL
    • PHENOL, 2-METHOXY-5-PROPENYL-
    • 2-methoxy-5-[(1E)-prop-1-en-1-yl]phenol
    • 2-METHOXY-5-(PROP-1-EN-1-YL)PHENOL
    • PHENOL, 2-METHOXY-5-(1-PROPEN-1-YL)-
    • 2-methoxy-5-((E)-prop-1-enyl)phenol
    • trans-m-Propenyl guaiacol
    • UNII-J6ECE44D0E
    • Phenol, 2-methoxy-5-(1E)-1-propenyl-
    • 2-methoxy-5-prop-1-enylphenol
    • 2-Methoxy-5-(1E)-1-propen-1-yl
    • Phenol, 2-methoxy-5-propenyl-, (E)-
    • Phenol, 2-methoxy-5-(1-propenyl)-, (E)-
    • STL560852
    • AKOS022504944
    • 2-Methoxy-5-[(1E)-1-propenyl]phenol #
    • A11367
    • Q27281269
    • 207-920-3

  • Applications

    Isochavibetol (CAS 501-20-2) is a phenolic phenylpropanoid reported in betel leaf (Piper betle) essential oil and other botanical sources, with main applications including: (1) a flavor and fragrance ingredient imparting warm, spicy, phenolic, clove-like nuances in perfumery, food flavors, and personal care; (2) a synthetic intermediate to build phenolic/allyl derivatives for aroma chemicals, fine chemicals, and discovery research; (3) an analytical reference/standard for essential-oil profiling, quality control, and plant metabolomics; (4) a compound investigated in vitro for antioxidant, antibacterial/antifungal, and biofilm-modulating activities, suggesting potential in food packaging, biopreservation, and hygiene formulations; (5) a potential technical additive to help inhibit oxidative degradation in oils or resins via its reactive phenolic group; practical use requires toxicological assessment, stability data, and compliance with local regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2620.51
    methanol 2844.33
    isopropanol 1493.78
    water 0.52
    ethyl acetate 3222.41
    n-propanol 2089.4
    acetone 3638.1
    n-butanol 1343.42
    acetonitrile 3783.17
    DMF 2719.67
    toluene 492.05
    isobutanol 1049.3
    1,4-dioxane 3108.45
    methyl acetate 2549.8
    THF 3971.27
    2-butanone 2199.82
    n-pentanol 713.32
    sec-butanol 1145.23
    n-hexane 77.74
    ethylene glycol 399.81
    NMP 1302.3
    cyclohexane 172.13
    DMSO 4221.44
    n-butyl acetate 1167.46
    n-octanol 207.27
    chloroform 2274.66
    n-propyl acetate 1009.07
    acetic acid 1638.01
    dichloromethane 3350.85
    cyclohexanone 1830.58
    propylene glycol 465.69
    isopropyl acetate 928.29
    DMAc 889.59
    2-ethoxyethanol 1294.9
    isopentanol 831.54
    n-heptane 62.41
    ethyl formate 1282.37
    1,2-dichloroethane 2723.71
    n-hexanol 699.95
    2-methoxyethanol 2703.01
    isobutyl acetate 413.48
    tetrachloromethane 334.78
    n-pentyl acetate 364.13
    transcutol 2910.82
    n-heptanol 208.99
    ethylbenzene 190.4
    MIBK 680.64
    2-propoxyethanol 1164.93
    tert-butanol 1777.15
    MTBE 1657.3
    2-butoxyethanol 433.6
    propionic acid 1158.91
    o-xylene 201.31
    formic acid 584.34
    diethyl ether 3086.91
    m-xylene 273.46
    p-xylene 197.93
    chlorobenzene 713.63
    dimethyl carbonate 691.19
    n-octane 23.61
    formamide 1757.14
    cyclopentanone 2622.18
    2-pentanone 1948.15
    anisole 569.75
    cyclopentyl methyl ether 1506.94
    gamma-butyrolactone 2919.43
    1-methoxy-2-propanol 1491.3
    pyridine 1668.37
    3-pentanone 1265.89
    furfural 1487.46
    n-dodecane 18.43
    diethylene glycol 858.47
    diisopropyl ether 389.3
    tert-amyl alcohol 1141.25
    acetylacetone 1463.02
    n-hexadecane 21.95
    acetophenone 433.72
    methyl propionate 2090.65
    isopentyl acetate 697.85
    trichloroethylene 3707.38
    n-nonanol 177.9
    cyclohexanol 874.87
    benzyl alcohol 404.07
    2-ethylhexanol 309.46
    isooctanol 164.34
    dipropyl ether 524.13
    1,2-dichlorobenzene 514.65
    ethyl lactate 281.18
    propylene carbonate 1038.58
    n-methylformamide 2182.4
    2-pentanol 841.24
    n-pentane 107.18
    1-propoxy-2-propanol 667.52
    1-methoxy-2-propyl acetate 768.59
    2-(2-methoxypropoxy) propanol 381.53
    mesitylene 154.78
    ε-caprolactone 1346.69
    p-cymene 115.3
    epichlorohydrin 3671.8
    1,1,1-trichloroethane 1750.24
    2-aminoethanol 789.31
    morpholine-4-carbaldehyde 1402.39
    sulfolane 2397.1
    2,2,4-trimethylpentane 47.73
    2-methyltetrahydrofuran 2582.23
    n-hexyl acetate 484.9
    isooctane 45.8
    2-(2-butoxyethoxy)ethanol 609.5
    sec-butyl acetate 474.14
    tert-butyl acetate 840.39
    decalin 59.83
    glycerin 523.5
    diglyme 1243.9
    acrylic acid 860.37
    isopropyl myristate 171.81
    n-butyric acid 1407.62
    acetyl acetate 944.86
    di(2-ethylhexyl) phthalate 132.54
    ethyl propionate 800.55
    nitromethane 3746.24
    1,2-diethoxyethane 1090.97
    benzonitrile 563.11
    trioctyl phosphate 113.76
    1-bromopropane 1283.11
    gamma-valerolactone 2219.75
    n-decanol 136.19
    triethyl phosphate 187.33
    4-methyl-2-pentanol 310.3
    propionitrile 1820.25
    vinylene carbonate 898.26
    1,1,2-trichlorotrifluoroethane 1302.04
    DMS 496.36
    cumene 114.81
    2-octanol 142.4
    2-hexanone 783.95
    octyl acetate 219.22
    limonene 194.1
    1,2-dimethoxyethane 1733.97
    ethyl orthosilicate 185.78
    tributyl phosphate 157.35
    diacetone alcohol 857.71
    N,N-dimethylaniline 246.22
    acrylonitrile 1943.09
    aniline 748.76
    1,3-propanediol 1150.98
    bromobenzene 721.81
    dibromomethane 2060.13
    1,1,2,2-tetrachloroethane 2295.77
    2-methyl-cyclohexyl acetate 286.82
    tetrabutyl urea 183.05
    diisobutyl methanol 171.59
    2-phenylethanol 363.36
    styrene 291.79
    dioctyl adipate 235.95
    dimethyl sulfate 787.34
    ethyl butyrate 595.45
    methyl lactate 476.93
    butyl lactate 242.77
    diethyl carbonate 358.03
    propanediol butyl ether 380.23
    triethyl orthoformate 309.41
    p-tert-butyltoluene 113.29
    methyl 4-tert-butylbenzoate 271.75
    morpholine 3674.44
    tert-butylamine 928.38
    n-dodecanol 105.01
    dimethoxymethane 2343.87
    ethylene carbonate 837.12
    cyrene 338.04
    2-ethoxyethyl acetate 634.51
    2-ethylhexyl acetate 516.03
    1,2,4-trichlorobenzene 574.97
    4-methylpyridine 1293.6
    dibutyl ether 362.68
    2,6-dimethyl-4-heptanol 171.59
    DEF 1417.47
    dimethyl isosorbide 644.55
    tetrachloroethylene 1343.0
    eugenol 275.97
    triacetin 406.21
    span 80 285.24
    1,4-butanediol 331.83
    1,1-dichloroethane 2346.82
    2-methyl-1-pentanol 495.0
    methyl formate 1713.43
    2-methyl-1-butanol 801.72
    n-decane 32.27
    butyronitrile 1507.46
    3,7-dimethyl-1-octanol 214.34
    1-chlorooctane 161.96
    1-chlorotetradecane 59.77
    n-nonane 32.74
    undecane 23.61
    tert-butylcyclohexane 54.1
    cyclooctane 51.29
    cyclopentanol 1013.71
    tetrahydropyran 3143.51
    tert-amyl methyl ether 814.49
    2,5,8-trioxanonane 707.6
    1-hexene 320.74
    2-isopropoxyethanol 678.59
    2,2,2-trifluoroethanol 459.83
    methyl butyrate 1001.52

    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
Anise (Spain) 1 8007-70-3 Pimpinella anisum L., fam. Apiaceae (Umbelliferae) 0.01%
Anise (Turkey) 1 8007-70-3 Pimpinella anisum L., fam. Apiaceae (Umbelliferae) 0.46%
Anise (USSR) 8007-70-3 Pimpinella anisum L., fam. Apiaceae (Umbelliferae) 0.02%