2-Methyl-6-propylphenol

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  • Identifiers

    CAS number
    3520-52-3

    Molecular formula
    C10H14O

    SMILES
    CCCC1=CC=CC(=C1O)C

    Safety labels

    Corrosive
    Corrosive

    Retention indicies (RI)

    • DB5: 1300.0

  • Odor profile

    Phenolic 83.86%
    Spicy 71.34%
    Smoky 67.69%
    Medicinal 60.13%
    Leathery 48.73%
    Sweet 45.39%
    Burnt 44.91%
    Woody 42.03%
    Herbal 39.85%
    Musty 36.41%

    Scent© AI

  • Properties

    XLogP3-AA
    3.3

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    227°C

    Flash point est.
    104.72 ˚C

  • Synonyms

    • 2-Methyl-6-propylphenol
    • 3520-52-3
    • Phenol, 2-methyl-6-propyl-
    • DTXSID90289923
    • 2-propyl-6-methylphenol
    • NSC65610
    • 2-Methyl--propylphenol
    • 2-methyl-6-propyl-phenol
    • NCIOpen2_000189
    • F9995-1188
    • SCHEMBL1005722
    • DTXCID70241069
    • NSC 65610
    • NSC-65610
    • AKOS006342809
    • CCG-358825
    • DB-338607
    • EN300-206717
    • G90236
    • A1-28929
    • 26615-74-7

  • Applications

    2-Methyl-6-propylphenol is an ortho-disubstituted alkylphenol; in practice it is used mainly as a high-purity building block and intermediate in organic synthesis and R&D, where it undergoes O- or C-functionalization to give ethers, esters, urethanes/carbamates, sulfonates, and phenolic resin precursors, and serves as a scaffold for developing hindered-phenol antioxidants, UV stabilizers, and corrosion inhibitors; it is also employed as an analytical reference in LC/GC–MS and in structure–activity studies of antimicrobial, radical-scavenging, and odor properties within related alkylphenol series, as well as for tuning phenolic acidity and surface reactivity in materials systems; any commercial use or use in food, cosmetics, or pharmaceuticals requires toxicological assessment and compliance with regional regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3138.63
    methanol 2832.68
    isopropanol 2311.35
    water 1.16
    ethyl acetate 1609.29
    n-propanol 2098.69
    acetone 2309.33
    n-butanol 1694.82
    acetonitrile 3221.89
    DMF 2412.11
    toluene 610.33
    isobutanol 1355.76
    1,4-dioxane 2869.55
    methyl acetate 1656.93
    THF 2981.68
    2-butanone 1809.98
    n-pentanol 1149.92
    sec-butanol 1464.78
    n-hexane 296.79
    ethylene glycol 209.15
    NMP 906.28
    cyclohexane 331.45
    DMSO 1628.77
    n-butyl acetate 2385.29
    n-octanol 773.4
    chloroform 4211.91
    n-propyl acetate 1175.32
    acetic acid 967.69
    dichloromethane 4792.16
    cyclohexanone 1825.45
    propylene glycol 268.91
    isopropyl acetate 730.98
    DMAc 996.61
    2-ethoxyethanol 1004.5
    isopentanol 1165.49
    n-heptane 294.43
    ethyl formate 1584.61
    1,2-dichloroethane 2735.05
    n-hexanol 1895.99
    2-methoxyethanol 1518.48
    isobutyl acetate 701.24
    tetrachloromethane 726.84
    n-pentyl acetate 889.07
    transcutol 2019.08
    n-heptanol 778.47
    ethylbenzene 403.95
    MIBK 670.9
    2-propoxyethanol 1697.45
    tert-butanol 1902.45
    MTBE 1687.59
    2-butoxyethanol 966.52
    propionic acid 932.42
    o-xylene 330.72
    formic acid 245.74
    diethyl ether 2207.96
    m-xylene 404.69
    p-xylene 489.33
    chlorobenzene 907.31
    dimethyl carbonate 343.53
    n-octane 142.31
    formamide 589.46
    cyclopentanone 1800.88
    2-pentanone 1446.58
    anisole 713.61
    cyclopentyl methyl ether 993.94
    gamma-butyrolactone 1932.3
    1-methoxy-2-propanol 1003.88
    pyridine 1973.77
    3-pentanone 862.49
    furfural 1294.93
    n-dodecane 106.47
    diethylene glycol 727.54
    diisopropyl ether 452.57
    tert-amyl alcohol 1292.41
    acetylacetone 890.4
    n-hexadecane 119.44
    acetophenone 541.92
    methyl propionate 964.72
    isopentyl acetate 1511.68
    trichloroethylene 3700.16
    n-nonanol 585.6
    cyclohexanol 841.06
    benzyl alcohol 517.91
    2-ethylhexanol 999.42
    isooctanol 590.15
    dipropyl ether 1288.87
    1,2-dichlorobenzene 710.66
    ethyl lactate 315.61
    propylene carbonate 1032.6
    n-methylformamide 1588.18
    2-pentanol 989.4
    n-pentane 270.68
    1-propoxy-2-propanol 1337.38
    1-methoxy-2-propyl acetate 894.58
    2-(2-methoxypropoxy) propanol 491.68
    mesitylene 274.14
    ε-caprolactone 1298.75
    p-cymene 330.68
    epichlorohydrin 2480.19
    1,1,1-trichloroethane 1999.62
    2-aminoethanol 562.53
    morpholine-4-carbaldehyde 1199.8
    sulfolane 1338.44
    2,2,4-trimethylpentane 113.8
    2-methyltetrahydrofuran 2021.01
    n-hexyl acetate 1091.38
    isooctane 121.9
    2-(2-butoxyethoxy)ethanol 802.75
    sec-butyl acetate 588.95
    tert-butyl acetate 682.29
    decalin 139.48
    glycerin 275.91
    diglyme 1552.09
    acrylic acid 565.81
    isopropyl myristate 364.08
    n-butyric acid 1437.06
    acetyl acetate 523.3
    di(2-ethylhexyl) phthalate 248.39
    ethyl propionate 718.2
    nitromethane 1884.77
    1,2-diethoxyethane 1600.08
    benzonitrile 1018.89
    trioctyl phosphate 243.43
    1-bromopropane 1981.93
    gamma-valerolactone 1888.85
    n-decanol 434.16
    triethyl phosphate 273.8
    4-methyl-2-pentanol 477.58
    propionitrile 2332.96
    vinylene carbonate 1019.86
    1,1,2-trichlorotrifluoroethane 818.16
    DMS 448.59
    cumene 294.04
    2-octanol 568.31
    2-hexanone 1169.75
    octyl acetate 478.24
    limonene 489.94
    1,2-dimethoxyethane 2183.21
    ethyl orthosilicate 292.83
    tributyl phosphate 279.63
    diacetone alcohol 647.37
    N,N-dimethylaniline 413.62
    acrylonitrile 2188.23
    aniline 644.17
    1,3-propanediol 962.83
    bromobenzene 1000.37
    dibromomethane 3460.86
    1,1,2,2-tetrachloroethane 2322.12
    2-methyl-cyclohexyl acetate 539.88
    tetrabutyl urea 358.36
    diisobutyl methanol 449.54
    2-phenylethanol 719.47
    styrene 525.91
    dioctyl adipate 394.76
    dimethyl sulfate 370.05
    ethyl butyrate 1093.92
    methyl lactate 273.45
    butyl lactate 502.22
    diethyl carbonate 606.41
    propanediol butyl ether 640.09
    triethyl orthoformate 568.62
    p-tert-butyltoluene 313.94
    methyl 4-tert-butylbenzoate 457.86
    morpholine 2880.4
    tert-butylamine 1345.64
    n-dodecanol 329.65
    dimethoxymethane 1464.4
    ethylene carbonate 936.33
    cyrene 347.79
    2-ethoxyethyl acetate 887.86
    2-ethylhexyl acetate 1109.73
    1,2,4-trichlorobenzene 654.77
    4-methylpyridine 1688.4
    dibutyl ether 926.22
    2,6-dimethyl-4-heptanol 449.54
    DEF 1173.65
    dimethyl isosorbide 724.17
    tetrachloroethylene 1583.64
    eugenol 453.18
    triacetin 496.47
    span 80 462.18
    1,4-butanediol 398.2
    1,1-dichloroethane 3004.33
    2-methyl-1-pentanol 837.62
    methyl formate 1107.63
    2-methyl-1-butanol 1047.44
    n-decane 177.37
    butyronitrile 2588.04
    3,7-dimethyl-1-octanol 567.88
    1-chlorooctane 578.6
    1-chlorotetradecane 213.9
    n-nonane 189.11
    undecane 134.53
    tert-butylcyclohexane 159.42
    cyclooctane 112.3
    cyclopentanol 934.01
    tetrahydropyran 2717.33
    tert-amyl methyl ether 836.62
    2,5,8-trioxanonane 856.16
    1-hexene 938.05
    2-isopropoxyethanol 734.11
    2,2,2-trifluoroethanol 249.22
    methyl butyrate 1124.57

    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
Lecythis usitata var. paraensis flower Lecythis usitata Miers. var. paraensis (Ducke) R. Kunth. fam. Lecythidacea 2.2%