3,4-Dimethyl-6-ethylphenol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    2219-78-5

    Molecular formula
    C10H14O

    SMILES
    CCC1=C(C=C(C(=C1)C)C)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Phenolic 82.01%
    Spicy 63.82%
    Smoky 62.75%
    Medicinal 56.98%
    Leathery 53.1%
    Woody 48.99%
    Burnt 44.88%
    Sweet 37.76%
    Musty 36.6%
    Animal 34.83%

    Scent© AI

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    10.76 (weak base)

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    242°C

    Flash point est.
    107.95 ˚C

  • Synonyms

    • 2-Ethyl-4,5-dimethylphenol
    • 2219-78-5
    • 6-Ethyl-3,4-dimethylphenol
    • 3,4-DIMETHYL-6-ETHYLPHENOL
    • Phenol, 2-ethyl-4,5-dimethyl-
    • 4,5-Dimethyl-2-ethylphenol
    • 3,4-Xylenol, 6-ethyl-
    • Phenol,2-ethyl-4,5-dimethyl-
    • 7CX4CE64WG
    • UNII-7CX4CE64WG
    • NSC 62107
    • NSC-62107
    • 1-Hydroxy-3,4-dimethyl-6-ethylbenzene
    • NSC62107
    • 3, 6-ethyl-
    • SCHEMBL4092415
    • 2-Ethyl-4,5-dimethylphenol #
    • DTXSID30289588
    • AKOS006282036
    • Q4596877
    • 654-536-0

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1894.43
    methanol 1229.1
    isopropanol 1658.15
    water 1.37
    ethyl acetate 1157.66
    n-propanol 1763.59
    acetone 1645.45
    n-butanol 1301.51
    acetonitrile 2871.17
    DMF 1795.82
    toluene 496.54
    isobutanol 1096.76
    1,4-dioxane 3185.06
    methyl acetate 1267.4
    THF 3245.6
    2-butanone 1488.39
    n-pentanol 831.43
    sec-butanol 1195.64
    n-hexane 310.13
    ethylene glycol 134.87
    NMP 717.67
    cyclohexane 321.28
    DMSO 1153.33
    n-butyl acetate 1175.35
    n-octanol 537.28
    chloroform 2792.18
    n-propyl acetate 703.2
    acetic acid 456.43
    dichloromethane 2916.23
    cyclohexanone 1471.95
    propylene glycol 219.03
    isopropyl acetate 535.16
    DMAc 638.37
    2-ethoxyethanol 664.91
    isopentanol 793.46
    n-heptane 260.06
    ethyl formate 972.6
    1,2-dichloroethane 1831.58
    n-hexanol 1346.04
    2-methoxyethanol 1084.89
    isobutyl acetate 397.16
    tetrachloromethane 578.59
    n-pentyl acetate 555.98
    transcutol 928.84
    n-heptanol 550.68
    ethylbenzene 334.15
    MIBK 532.68
    2-propoxyethanol 1173.99
    tert-butanol 1521.9
    MTBE 1431.87
    2-butoxyethanol 595.63
    propionic acid 645.27
    o-xylene 278.96
    formic acid 120.61
    diethyl ether 1853.45
    m-xylene 327.01
    p-xylene 401.38
    chlorobenzene 633.62
    dimethyl carbonate 261.09
    n-octane 134.91
    formamide 306.21
    cyclopentanone 1675.92
    2-pentanone 1123.2
    anisole 544.93
    cyclopentyl methyl ether 995.8
    gamma-butyrolactone 1638.19
    1-methoxy-2-propanol 864.39
    pyridine 1430.89
    3-pentanone 743.06
    furfural 835.37
    n-dodecane 86.84
    diethylene glycol 502.47
    diisopropyl ether 377.69
    tert-amyl alcohol 1000.99
    acetylacetone 633.86
    n-hexadecane 99.5
    acetophenone 350.94
    methyl propionate 753.39
    isopentyl acetate 779.04
    trichloroethylene 2175.38
    n-nonanol 433.68
    cyclohexanol 758.12
    benzyl alcohol 350.03
    2-ethylhexanol 620.25
    isooctanol 395.75
    dipropyl ether 905.52
    1,2-dichlorobenzene 454.3
    ethyl lactate 195.76
    propylene carbonate 667.54
    n-methylformamide 1171.58
    2-pentanol 811.17
    n-pentane 276.42
    1-propoxy-2-propanol 840.67
    1-methoxy-2-propyl acetate 556.61
    2-(2-methoxypropoxy) propanol 319.48
    mesitylene 214.51
    ε-caprolactone 961.53
    p-cymene 232.48
    epichlorohydrin 2049.98
    1,1,1-trichloroethane 1434.07
    2-aminoethanol 379.12
    morpholine-4-carbaldehyde 973.84
    sulfolane 1038.59
    2,2,4-trimethylpentane 96.71
    2-methyltetrahydrofuran 2054.41
    n-hexyl acetate 708.6
    isooctane 95.01
    2-(2-butoxyethoxy)ethanol 493.91
    sec-butyl acetate 368.3
    tert-butyl acetate 496.68
    decalin 135.42
    glycerin 198.77
    diglyme 942.4
    acrylic acid 353.74
    isopropyl myristate 256.47
    n-butyric acid 898.76
    acetyl acetate 368.21
    di(2-ethylhexyl) phthalate 166.96
    ethyl propionate 506.87
    nitromethane 1236.73
    1,2-diethoxyethane 906.5
    benzonitrile 584.51
    trioctyl phosphate 164.11
    1-bromopropane 1450.4
    gamma-valerolactone 1613.57
    n-decanol 328.95
    triethyl phosphate 191.75
    4-methyl-2-pentanol 375.64
    propionitrile 2025.55
    vinylene carbonate 642.5
    1,1,2-trichlorotrifluoroethane 501.46
    DMS 331.25
    cumene 234.86
    2-octanol 417.92
    2-hexanone 785.64
    octyl acetate 347.08
    limonene 351.14
    1,2-dimethoxyethane 1486.64
    ethyl orthosilicate 196.26
    tributyl phosphate 170.66
    diacetone alcohol 481.52
    N,N-dimethylaniline 332.19
    acrylonitrile 1743.87
    aniline 505.83
    1,3-propanediol 678.64
    bromobenzene 670.84
    dibromomethane 2163.06
    1,1,2,2-tetrachloroethane 1464.83
    2-methyl-cyclohexyl acetate 334.63
    tetrabutyl urea 223.05
    diisobutyl methanol 302.5
    2-phenylethanol 509.33
    styrene 372.84
    dioctyl adipate 250.0
    dimethyl sulfate 294.18
    ethyl butyrate 567.03
    methyl lactate 216.84
    butyl lactate 276.05
    diethyl carbonate 322.54
    propanediol butyl ether 386.96
    triethyl orthoformate 332.38
    p-tert-butyltoluene 239.14
    methyl 4-tert-butylbenzoate 332.65
    morpholine 3012.43
    tert-butylamine 1034.09
    n-dodecanol 254.13
    dimethoxymethane 1127.87
    ethylene carbonate 627.49
    cyrene 266.13
    2-ethoxyethyl acetate 523.98
    2-ethylhexyl acetate 610.57
    1,2,4-trichlorobenzene 445.65
    4-methylpyridine 1143.62
    dibutyl ether 632.15
    2,6-dimethyl-4-heptanol 302.5
    DEF 833.0
    dimethyl isosorbide 509.55
    tetrachloroethylene 966.81
    eugenol 304.89
    triacetin 301.48
    span 80 318.83
    1,4-butanediol 252.55
    1,1-dichloroethane 2019.35
    2-methyl-1-pentanol 543.89
    methyl formate 785.23
    2-methyl-1-butanol 770.37
    n-decane 152.86
    butyronitrile 1902.1
    3,7-dimethyl-1-octanol 365.87
    1-chlorooctane 425.45
    1-chlorotetradecane 160.98
    n-nonane 164.04
    undecane 113.76
    tert-butylcyclohexane 138.31
    cyclooctane 122.3
    cyclopentanol 931.31
    tetrahydropyran 2725.78
    tert-amyl methyl ether 700.17
    2,5,8-trioxanonane 527.77
    1-hexene 830.66
    2-isopropoxyethanol 484.75
    2,2,2-trifluoroethanol 157.64
    methyl butyrate 676.39

    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
Oregano, spanish (Italy) 4 8007-11-2 Coridothymus capitatus Rchb. (Thymus capitatus Hoffm. et Link.), Lamiaceae 0.7%