2-Propenylphenol

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  • Identifiers

    CAS number
    6380-21-8

    Molecular formula
    C9H10O

    SMILES
    CC=CC1=CC=CC=C1O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Spicy 77.42%
    Phenolic 76.7%
    Sweet 60.21%
    Medicinal 56.31%
    Smoky 54.94%
    Herbal 52.44%
    Woody 45.86%
    Clove 38.51%
    Musty 34.39%
    Warm 32.82%

     

    Flavor
    Phenolic 64.8%
    Medicinal 50.47%
    Spicy 35.79%
    Phenol 32.24%
    Sweet 30.94%
    Guaiacol 29.11%
    Spice 27.59%
    Clove 26.47%
    Medical 25.45%
    Woody 25.09%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    9.44 (weak base)

    Molecular weight
    134.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    219°C

    Flash point

    • 103.46 ˚C est.

  • Synonyms

    • 2-Propenylphenol
    • 2-(1-Propenyl)phenol
    • 2-prop-1-enylphenol
    • 6380-21-8
    • o-(Prop-1-enyl)phenol
    • propenylphenol
    • Phenol, 2-(1-propenyl)-
    • DTXSID70871163
    • Phenol, o-propenyl-
    • Phenol, 2-propenyl-
    • 2-propenyl-phenol
    • BRN 2324090
    • EINECS 228-961-3
    • propenyl phenol
    • Phenol, opropenyl
    • Phenol, 2propenyl
    • o(Prop1enyl)phenol
    • 2(1Propenyl)phenol
    • Phenol, 2(1propenyl)
    • 3-06-00-02393 (Beilstein Handbook Reference)
    • DTXCID10818835
    • NS00045115
    • A15723

  • Applications

    2-Propenylphenol (CAS 6380-21-8) is used across several industrial contexts due to its allyl group, which enables further chemical modification. In perfumery and cosmetics it is employed as an aroma chemical/intermediate for fragrance formulations. It is also valued in polymers and plastics as a reactive monomer or crosslinking agent, enabling copolymerization or resin formation through the allyl functionality. In coatings and inks, it can act as a reactive diluent or crosslinkable building block in UV-curable systems, contributing to network formation and performance. Additionally, in industrial manufacturing it is commonly used as an intermediate to prepare other phenolic compounds, antioxidants, or specialty chemicals. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1716.11
    methanol 1091.83
    isopropanol 1458.49
    water 1.1
    ethyl acetate 866.89
    n-propanol 1253.18
    acetone 1636.21
    n-butanol 1101.59
    acetonitrile 1545.29
    DMF 2244.85
    toluene 422.09
    isobutanol 881.8
    1,4-dioxane 1569.3
    methyl acetate 987.59
    THF 1947.64
    2-butanone 1262.93
    n-pentanol 643.2
    sec-butanol 1042.73
    n-hexane 247.84
    ethylene glycol 257.52
    NMP 939.75
    cyclohexane 252.15
    DMSO 2312.11
    n-butyl acetate 981.24
    n-octanol 507.11
    chloroform 2102.28
    n-propyl acetate 630.78
    acetic acid 560.27
    dichloromethane 2500.98
    cyclohexanone 1143.36
    propylene glycol 351.04
    isopropyl acetate 413.58
    DMAc 957.1
    2-ethoxyethanol 578.78
    isopentanol 653.58
    n-heptane 258.71
    ethyl formate 756.67
    1,2-dichloroethane 1483.82
    n-hexanol 1051.42
    2-methoxyethanol 1054.27
    isobutyl acetate 346.78
    tetrachloromethane 363.18
    n-pentyl acetate 421.38
    transcutol 1143.64
    n-heptanol 442.14
    ethylbenzene 262.47
    MIBK 460.09
    2-propoxyethanol 951.87
    tert-butanol 1128.78
    MTBE 826.21
    2-butoxyethanol 517.67
    propionic acid 709.19
    o-xylene 241.73
    formic acid 112.94
    diethyl ether 1110.72
    m-xylene 296.92
    p-xylene 287.68
    chlorobenzene 475.47
    dimethyl carbonate 322.87
    n-octane 116.68
    formamide 329.38
    cyclopentanone 1401.55
    2-pentanone 981.62
    anisole 457.21
    cyclopentyl methyl ether 757.26
    gamma-butyrolactone 1365.71
    1-methoxy-2-propanol 847.93
    pyridine 987.75
    3-pentanone 617.07
    furfural 791.82
    n-dodecane 87.89
    diethylene glycol 546.69
    diisopropyl ether 262.22
    tert-amyl alcohol 794.57
    acetylacetone 616.42
    n-hexadecane 96.14
    acetophenone 373.23
    methyl propionate 715.47
    isopentyl acetate 617.42
    trichloroethylene 1979.26
    n-nonanol 387.58
    cyclohexanol 637.57
    benzyl alcohol 311.0
    2-ethylhexanol 538.19
    isooctanol 328.96
    dipropyl ether 790.06
    1,2-dichlorobenzene 373.24
    ethyl lactate 259.59
    propylene carbonate 718.79
    n-methylformamide 1066.89
    2-pentanol 721.59
    n-pentane 251.77
    1-propoxy-2-propanol 773.39
    1-methoxy-2-propyl acetate 510.36
    2-(2-methoxypropoxy) propanol 375.08
    mesitylene 193.33
    ε-caprolactone 784.06
    p-cymene 203.98
    epichlorohydrin 1568.97
    1,1,1-trichloroethane 1088.94
    2-aminoethanol 492.32
    morpholine-4-carbaldehyde 890.5
    sulfolane 1423.56
    2,2,4-trimethylpentane 85.3
    2-methyltetrahydrofuran 1281.52
    n-hexyl acetate 611.24
    isooctane 89.59
    2-(2-butoxyethoxy)ethanol 559.17
    sec-butyl acetate 319.36
    tert-butyl acetate 402.64
    decalin 114.37
    glycerin 312.17
    diglyme 975.07
    acrylic acid 467.12
    isopropyl myristate 245.9
    n-butyric acid 858.52
    acetyl acetate 312.16
    di(2-ethylhexyl) phthalate 162.99
    ethyl propionate 467.45
    nitromethane 1146.85
    1,2-diethoxyethane 672.35
    benzonitrile 504.86
    trioctyl phosphate 170.71
    1-bromopropane 1220.37
    gamma-valerolactone 1118.05
    n-decanol 304.2
    triethyl phosphate 181.56
    4-methyl-2-pentanol 308.82
    propionitrile 1216.56
    vinylene carbonate 613.15
    1,1,2-trichlorotrifluoroethane 652.7
    DMS 323.92
    cumene 195.35
    2-octanol 349.94
    2-hexanone 701.36
    octyl acetate 316.33
    limonene 313.31
    1,2-dimethoxyethane 1160.42
    ethyl orthosilicate 173.43
    tributyl phosphate 178.83
    diacetone alcohol 483.73
    N,N-dimethylaniline 307.67
    acrylonitrile 1181.31
    aniline 420.24
    1,3-propanediol 659.93
    bromobenzene 536.48
    dibromomethane 1876.82
    1,1,2,2-tetrachloroethane 1406.61
    2-methyl-cyclohexyl acetate 282.95
    tetrabutyl urea 264.35
    diisobutyl methanol 284.21
    2-phenylethanol 399.89
    styrene 329.39
    dioctyl adipate 266.55
    dimethyl sulfate 427.53
    ethyl butyrate 569.08
    methyl lactate 304.24
    butyl lactate 291.24
    diethyl carbonate 321.73
    propanediol butyl ether 447.34
    triethyl orthoformate 279.32
    p-tert-butyltoluene 196.45
    methyl 4-tert-butylbenzoate 334.57
    morpholine 1520.51
    tert-butylamine 742.02
    n-dodecanol 251.31
    dimethoxymethane 1104.76
    ethylene carbonate 539.14
    cyrene 276.69
    2-ethoxyethyl acetate 421.95
    2-ethylhexyl acetate 459.47
    1,2,4-trichlorobenzene 381.84
    4-methylpyridine 882.67
    dibutyl ether 549.38
    2,6-dimethyl-4-heptanol 284.21
    DEF 827.42
    dimethyl isosorbide 505.45
    tetrachloroethylene 839.46
    eugenol 328.96
    triacetin 338.03
    span 80 352.67
    1,4-butanediol 284.77
    1,1-dichloroethane 1676.49
    2-methyl-1-pentanol 423.68
    methyl formate 748.07
    2-methyl-1-butanol 653.27
    n-decane 140.12
    butyronitrile 1260.61
    3,7-dimethyl-1-octanol 354.98
    1-chlorooctane 395.44
    1-chlorotetradecane 162.88
    n-nonane 157.87
    undecane 109.2
    tert-butylcyclohexane 120.69
    cyclooctane 100.47
    cyclopentanol 767.58
    tetrahydropyran 1583.85
    tert-amyl methyl ether 511.29
    2,5,8-trioxanonane 618.69
    1-hexene 680.81
    2-isopropoxyethanol 432.85
    2,2,2-trifluoroethanol 172.27
    methyl butyrate 673.87

    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