2-Methyl-5-(Prop-1-En-2-Yl)phenol

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  • Identifiers

    CAS number
    56423-47-3

    Molecular formula
    C10H12O

    SMILES
    CC1=C(C=C(C=C1)C(=C)C)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 68.85%
    Spicy 65.96%
    Herbal 57.03%
    Woody 54.71%
    Sweet 51.73%
    Medicinal 48.2%
    Smoky 42.08%
    Leathery 37.31%
    Musty 37.04%
    Clove 30.91%

     

    Flavor
    Phenolic 48.79%
    Medicinal 36.45%
    Spicy 36.36%
    Woody 35.12%
    Herbal 31.96%
    Camphor 28.62%
    Spice 26.38%
    Guaiacol 25.09%
    Styrene 22.83%
    Minty 22.64%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    10.61 (weak base)

    Molecular weight
    148.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    244°C

    Flash point

    • 104.15 ˚C est.

  • Synonyms

    • 2-Methyl-5-(Prop-1-En-2-Yl)phenol
    • 2-methyl-5-prop-1-en-2-ylphenol
    • RefChem:475680
    • 854-629-8
    • 56423-47-3
    • 2-Hydroxy-4-isopropenyltoluene (dehydrocarvacrol)
    • 0WV
    • Phenol, 2-methyl-5-(1-methylethenyl)-
    • SCHEMBL685679
    • DTXSID40423799
    • HHTWOMMSBMNRKP-UHFFFAOYSA-N
    • 3-hydroxy-alpha,4-dimethyl styrene
    • DB-112140
    • EN300-6812509
    • Q27451493
    • 56423-47-3

  • Applications

    2-Methyl-5-(Prop-1-En-2-Yl)phenol (CAS 56423-47-3) is typically utilized in perfumery and cosmetics as a fragrance ingredient and as an intermediate for the synthesis of more complex aroma compounds. It may also be used in household products to contribute a scent profile. In industrial manufacturing it serves as a building block for fragrance-related intermediates, while the alkenyl isopropenyl substituent enables further functionalization to act as a monomer or crosslinkable component in specialty polymers or coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 474.85
    methanol 269.59
    isopropanol 451.63
    water 1.01
    ethyl acetate 395.95
    n-propanol 436.81
    acetone 321.25
    n-butanol 390.62
    acetonitrile 499.28
    DMF 420.14
    toluene 173.71
    isobutanol 285.96
    1,4-dioxane 672.54
    methyl acetate 427.5
    THF 628.29
    2-butanone 501.01
    n-pentanol 236.26
    sec-butanol 405.25
    n-hexane 23.51
    ethylene glycol 50.46
    NMP 144.58
    cyclohexane 27.78
    DMSO 211.75
    n-butyl acetate 303.86
    n-octanol 181.14
    chloroform 507.69
    n-propyl acetate 190.11
    acetic acid 159.78
    dichloromethane 424.75
    cyclohexanone 300.54
    propylene glycol 113.52
    isopropyl acetate 162.65
    DMAc 344.34
    2-ethoxyethanol 263.87
    isopentanol 265.63
    n-heptane 42.0
    ethyl formate 253.57
    1,2-dichloroethane 246.49
    n-hexanol 389.72
    2-methoxyethanol 440.56
    isobutyl acetate 113.29
    tetrachloromethane 82.49
    n-pentyl acetate 156.03
    transcutol 505.63
    n-heptanol 185.58
    ethylbenzene 119.36
    MIBK 158.93
    2-propoxyethanol 418.85
    tert-butanol 523.02
    MTBE 364.94
    2-butoxyethanol 242.88
    propionic acid 202.86
    o-xylene 106.9
    formic acid 52.65
    diethyl ether 373.2
    m-xylene 114.85
    p-xylene 148.47
    chlorobenzene 143.53
    dimethyl carbonate 88.77
    n-octane 19.54
    formamide 138.59
    cyclopentanone 314.17
    2-pentanone 307.18
    anisole 227.89
    cyclopentyl methyl ether 175.49
    gamma-butyrolactone 301.95
    1-methoxy-2-propanol 354.62
    pyridine 438.58
    3-pentanone 221.2
    furfural 266.64
    n-dodecane 16.31
    diethylene glycol 206.42
    diisopropyl ether 79.0
    tert-amyl alcohol 396.29
    acetylacetone 193.64
    n-hexadecane 18.3
    acetophenone 158.66
    methyl propionate 258.84
    isopentyl acetate 238.52
    trichloroethylene 433.58
    n-nonanol 154.99
    cyclohexanol 173.89
    benzyl alcohol 167.94
    2-ethylhexanol 209.36
    isooctanol 140.35
    dipropyl ether 232.58
    1,2-dichlorobenzene 112.33
    ethyl lactate 80.9
    propylene carbonate 168.4
    n-methylformamide 244.98
    2-pentanol 238.86
    n-pentane 24.21
    1-propoxy-2-propanol 310.46
    1-methoxy-2-propyl acetate 219.55
    2-(2-methoxypropoxy) propanol 186.5
    mesitylene 62.75
    ε-caprolactone 245.83
    p-cymene 85.71
    epichlorohydrin 431.86
    1,1,1-trichloroethane 272.56
    2-aminoethanol 151.79
    morpholine-4-carbaldehyde 276.46
    sulfolane 180.26
    2,2,4-trimethylpentane 18.59
    2-methyltetrahydrofuran 408.88
    n-hexyl acetate 213.59
    isooctane 17.11
    2-(2-butoxyethoxy)ethanol 257.68
    sec-butyl acetate 124.17
    tert-butyl acetate 167.72
    decalin 23.95
    glycerin 113.28
    diglyme 424.74
    acrylic acid 120.02
    isopropyl myristate 86.88
    n-butyric acid 283.9
    acetyl acetate 139.92
    di(2-ethylhexyl) phthalate 73.07
    ethyl propionate 158.56
    nitromethane 309.08
    1,2-diethoxyethane 273.54
    benzonitrile 193.82
    trioctyl phosphate 59.1
    1-bromopropane 231.57
    gamma-valerolactone 403.99
    n-decanol 117.42
    triethyl phosphate 75.71
    4-methyl-2-pentanol 132.3
    propionitrile 444.91
    vinylene carbonate 187.4
    1,1,2-trichlorotrifluoroethane 189.63
    DMS 105.17
    cumene 82.03
    2-octanol 133.05
    2-hexanone 217.97
    octyl acetate 116.51
    limonene 109.6
    1,2-dimethoxyethane 441.2
    ethyl orthosilicate 77.77
    tributyl phosphate 65.13
    diacetone alcohol 225.84
    N,N-dimethylaniline 146.44
    acrylonitrile 370.09
    aniline 186.73
    1,3-propanediol 266.7
    bromobenzene 139.79
    dibromomethane 309.11
    1,1,2,2-tetrachloroethane 291.99
    2-methyl-cyclohexyl acetate 133.5
    tetrabutyl urea 88.34
    diisobutyl methanol 114.36
    2-phenylethanol 217.76
    styrene 126.38
    dioctyl adipate 99.81
    dimethyl sulfate 84.46
    ethyl butyrate 196.88
    methyl lactate 96.25
    butyl lactate 102.77
    diethyl carbonate 120.37
    propanediol butyl ether 175.39
    triethyl orthoformate 112.48
    p-tert-butyltoluene 87.53
    methyl 4-tert-butylbenzoate 148.73
    morpholine 702.3
    tert-butylamine 294.31
    n-dodecanol 88.89
    dimethoxymethane 305.43
    ethylene carbonate 153.38
    cyrene 124.02
    2-ethoxyethyl acetate 198.05
    2-ethylhexyl acetate 183.69
    1,2,4-trichlorobenzene 125.47
    4-methylpyridine 380.6
    dibutyl ether 167.36
    2,6-dimethyl-4-heptanol 114.36
    DEF 219.03
    dimethyl isosorbide 253.78
    tetrachloroethylene 170.72
    eugenol 149.69
    triacetin 126.49
    span 80 155.21
    1,4-butanediol 87.56
    1,1-dichloroethane 340.08
    2-methyl-1-pentanol 199.37
    methyl formate 162.05
    2-methyl-1-butanol 252.33
    n-decane 28.54
    butyronitrile 428.47
    3,7-dimethyl-1-octanol 160.32
    1-chlorooctane 100.16
    1-chlorotetradecane 39.34
    n-nonane 25.98
    undecane 21.02
    tert-butylcyclohexane 28.96
    cyclooctane 11.29
    cyclopentanol 187.25
    tetrahydropyran 532.6
    tert-amyl methyl ether 228.83
    2,5,8-trioxanonane 293.9
    1-hexene 128.07
    2-isopropoxyethanol 200.4
    2,2,2-trifluoroethanol 59.4
    methyl butyrate 197.0

    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