3-Ethylphenol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    620-17-7

    Molecular formula
    C8H10O

    SMILES
    CCC1=CC(=CC=C1)O

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 2150.0

  • Odor profile

    Phenolic 84.15%
    Medicinal 56.93%
    Smoky 53.85%
    Leathery 52.05%
    Animal 51.82%
    Woody 45.82%
    Spicy 44.27%
    Burnt 41.61%
    Musty 36.69%
    Dry 30.63%

    Scent© AI

  • Properties

    XLogP3-AA
    2.4

    Molecular weight
    122.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • -4 °C

    Boiling point

    • 218.4 °C @ 760 MM HG

    Flash point est.
    88.27 ˚C

    Solubility expt.

    • SLIGHTLY SOLUBLE IN WATER, CHLOROFORM; VERY SOLUBLE IN ALCOHOL, ETHER

  • Synonyms

    • 3-ETHYLPHENOL
    • 620-17-7
    • m-Ethylphenol
    • Phenol, 3-ethyl-
    • Phenol, m-ethyl-
    • meta-Ethylphenol
    • 1-Ethyl-3-hydroxybenzene
    • 1-Hydroxy-3-ethylbenzene
    • 3-Ethyl-phenol
    • Benzene, 1-ethyl-3-hydroxy-
    • HSDB 5720
    • NSC 8873
    • EINECS 210-627-3
    • UNII-0G9ZK222JX
    • MFCD00002311
    • 0G9ZK222JX
    • DTXSID0022480
    • AI3-19938
    • NSC-8873
    • ETHYLPHENOL, 3-
    • 3-ETHYLPHENOL [HSDB]
    • DTXCID402480
    • CHEBI:34332
    • 3-Ethylphenol 100 microg/mL in Methanol
    • CAS-620-17-7
    • 3-ETHYL PHENOL
    • metaEthylphenol
    • m-Ethyl phenol
    • Phenol, methyl
    • Phenol, 3ethyl
    • 1Ethyl3hydroxybenzene
    • 1Hydroxy3ethylbenzene
    • Benzene, 1ethyl3hydroxy
    • Phenol, m-ethyl-(8CI)
    • SCHEMBL51757
    • BIDD:ER0180
    • CHEMBL58052
    • NSC8873
    • ALBB-026446
    • Tox21_201623
    • Tox21_302992
    • STL481945
    • XH0859
    • 3-Ethylphenol, >=95.0% (GC)
    • 3-Ethylphenol, technical grade, 80%
    • AKOS000120810
    • CS-W019545
    • FE54826
    • NCGC00249086-01
    • NCGC00256388-01
    • NCGC00259172-01
    • LS-09015
    • SY026494
    • DB-030920
    • A8582
    • E0161
    • NS00010664
    • EN300-20883
    • D78431
    • 3-Ethylphenol, PESTANAL(R), analytical standard
    • Q4634135
    • 210-627-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3388.42
    methanol 2851.31
    isopropanol 2444.45
    water 0.98
    ethyl acetate 1864.39
    n-propanol 2516.24
    acetone 3299.67
    n-butanol 1723.01
    acetonitrile 3066.12
    DMF 2240.42
    toluene 405.0
    isobutanol 1506.97
    1,4-dioxane 4163.47
    methyl acetate 2043.54
    THF 4884.72
    2-butanone 2082.13
    n-pentanol 1121.66
    sec-butanol 1564.76
    n-hexane 326.03
    ethylene glycol 343.09
    NMP 1235.21
    cyclohexane 199.69
    DMSO 3397.67
    n-butyl acetate 1055.31
    n-octanol 478.03
    chloroform 1930.59
    n-propyl acetate 905.34
    acetic acid 935.04
    dichloromethane 1789.68
    cyclohexanone 1648.25
    propylene glycol 473.76
    isopropyl acetate 754.35
    DMAc 727.18
    2-ethoxyethanol 1019.73
    isopentanol 998.86
    n-heptane 145.41
    ethyl formate 953.11
    1,2-dichloroethane 1444.89
    n-hexanol 1559.69
    2-methoxyethanol 1767.95
    isobutyl acetate 507.53
    tetrachloromethane 291.48
    n-pentyl acetate 397.06
    transcutol 1939.15
    n-heptanol 484.73
    ethylbenzene 221.09
    MIBK 705.98
    2-propoxyethanol 1651.82
    tert-butanol 1896.21
    MTBE 1681.24
    2-butoxyethanol 678.19
    propionic acid 1290.31
    o-xylene 187.32
    formic acid 222.87
    diethyl ether 2567.44
    m-xylene 270.31
    p-xylene 235.38
    chlorobenzene 516.91
    dimethyl carbonate 394.57
    n-octane 68.4
    formamide 461.72
    cyclopentanone 2377.98
    2-pentanone 1638.38
    anisole 559.48
    cyclopentyl methyl ether 1528.51
    gamma-butyrolactone 2280.39
    1-methoxy-2-propanol 1482.45
    pyridine 1282.36
    3-pentanone 913.65
    furfural 970.48
    n-dodecane 54.33
    diethylene glycol 921.12
    diisopropyl ether 411.23
    tert-amyl alcohol 1087.65
    acetylacetone 1088.38
    n-hexadecane 60.68
    acetophenone 334.16
    methyl propionate 1255.49
    isopentyl acetate 705.78
    trichloroethylene 1695.03
    n-nonanol 388.9
    cyclohexanol 866.32
    benzyl alcohol 356.08
    2-ethylhexanol 528.64
    isooctanol 354.49
    dipropyl ether 825.93
    1,2-dichlorobenzene 337.12
    ethyl lactate 271.42
    propylene carbonate 820.98
    n-methylformamide 1438.46
    2-pentanol 1013.58
    n-pentane 224.2
    1-propoxy-2-propanol 1001.93
    1-methoxy-2-propyl acetate 674.45
    2-(2-methoxypropoxy) propanol 418.83
    mesitylene 163.35
    ε-caprolactone 1191.76
    p-cymene 120.31
    epichlorohydrin 2377.86
    1,1,1-trichloroethane 1033.16
    2-aminoethanol 793.42
    morpholine-4-carbaldehyde 1314.87
    sulfolane 2045.73
    2,2,4-trimethylpentane 73.07
    2-methyltetrahydrofuran 2684.58
    n-hexyl acetate 630.72
    isooctane 91.13
    2-(2-butoxyethoxy)ethanol 730.32
    sec-butyl acetate 441.49
    tert-butyl acetate 721.11
    decalin 93.15
    glycerin 440.99
    diglyme 1181.62
    acrylic acid 709.68
    isopropyl myristate 237.03
    n-butyric acid 1371.56
    acetyl acetate 555.48
    di(2-ethylhexyl) phthalate 157.35
    ethyl propionate 635.99
    nitromethane 2084.11
    1,2-diethoxyethane 918.14
    benzonitrile 488.36
    trioctyl phosphate 162.22
    1-bromopropane 1191.6
    gamma-valerolactone 2035.47
    n-decanol 299.29
    triethyl phosphate 144.3
    4-methyl-2-pentanol 435.8
    propionitrile 1812.43
    vinylene carbonate 626.42
    1,1,2-trichlorotrifluoroethane 744.94
    DMS 366.1
    cumene 141.57
    2-octanol 326.21
    2-hexanone 998.93
    octyl acetate 321.45
    limonene 213.28
    1,2-dimethoxyethane 1750.21
    ethyl orthosilicate 148.09
    tributyl phosphate 174.01
    diacetone alcohol 759.14
    N,N-dimethylaniline 269.98
    acrylonitrile 1676.94
    aniline 529.58
    1,3-propanediol 1070.21
    bromobenzene 507.6
    dibromomethane 1367.75
    1,1,2,2-tetrachloroethane 1240.66
    2-methyl-cyclohexyl acetate 292.05
    tetrabutyl urea 211.92
    diisobutyl methanol 265.58
    2-phenylethanol 466.09
    styrene 300.99
    dioctyl adipate 249.61
    dimethyl sulfate 504.48
    ethyl butyrate 556.46
    methyl lactate 387.84
    butyl lactate 258.35
    diethyl carbonate 274.11
    propanediol butyl ether 490.29
    triethyl orthoformate 268.99
    p-tert-butyltoluene 131.22
    methyl 4-tert-butylbenzoate 304.98
    morpholine 3768.23
    tert-butylamine 1098.61
    n-dodecanol 230.12
    dimethoxymethane 1650.63
    ethylene carbonate 630.13
    cyrene 301.55
    2-ethoxyethyl acetate 490.21
    2-ethylhexyl acetate 479.77
    1,2,4-trichlorobenzene 358.37
    4-methylpyridine 1080.48
    dibutyl ether 546.19
    2,6-dimethyl-4-heptanol 265.58
    DEF 1018.79
    dimethyl isosorbide 590.5
    tetrachloroethylene 737.16
    eugenol 332.75
    triacetin 327.97
    span 80 401.74
    1,4-butanediol 400.36
    1,1-dichloroethane 1768.39
    2-methyl-1-pentanol 628.05
    methyl formate 1003.66
    2-methyl-1-butanol 957.98
    n-decane 89.69
    butyronitrile 1687.47
    3,7-dimethyl-1-octanol 367.19
    1-chlorooctane 316.22
    1-chlorotetradecane 123.6
    n-nonane 99.49
    undecane 68.29
    tert-butylcyclohexane 111.96
    cyclooctane 73.42
    cyclopentanol 1203.11
    tetrahydropyran 3495.77
    tert-amyl methyl ether 759.96
    2,5,8-trioxanonane 716.58
    1-hexene 1027.6
    2-isopropoxyethanol 725.35
    2,2,2-trifluoroethanol 219.33
    methyl butyrate 845.89

    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
Styrax (Honduras) 8024-01-9 Liquidambar styraciflua L., fam. Hamamelidaceae 1.1%
Geneps fruit (Cuba) Melicocca bijuga L., fam. Sapindaceae 0.1%