2-Ethylphenol

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  • Identifiers

    CAS number
    90-00-6

    Molecular formula
    C8H10O

    SMILES
    CCC1=CC=CC=C1O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 2028.0

  • Odor profile

    Fragrance
    Phenolic 90.18%
    Medicinal 69.39%
    Smoky 68.11%
    Sweet 67.59%
    Spicy 53.85%
    Burnt 45.97%
    Leathery 44.89%
    Musty 43.08%
    Woody 41.26%
    Animal 34.75%

     

    Flavor
    Phenolic 87.34%
    Medicinal 72.92%
    Phenol 56.59%
    Smoke 46.43%
    Smoky 45.14%
    Spicy 35.68%
    Medicine 33.89%
    Spice 33.74%
    Sweet 33.47%
    Guaiacol 32.08%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    9.7 (weak base)

    Molecular weight
    122.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • -18 °F (NTP, 1992)
    • 18 °C

    Boiling point

    • 400.14 °F at 760 mmHg (NTP, 1992)
    • 204.5 °C

    Flash point

    • 82.94 ˚C est.
    • 173 °F (NTP, 1992)
    • 78 °C

    Solubility expt.

    • less than 1 mg/mL at 72 °F (NTP, 1992)
    • PRACTICALLY INSOL IN WATER; FREELY SOL IN ALCOHOL
    • FREELY SOL IN BENZENE, GLACIAL ACETIC ACID
    • SOL IN ALL PROP IN ETHER, SOL IN ACETONE
    • Water solubility = 5340 mg/l

  • Synonyms

    • 2-ETHYLPHENOL
    • 90-00-6
    • o-Ethylphenol
    • Phlorol
    • Phenol, 2-ethyl-
    • Phenol, o-ethyl-
    • ETHYLPHENOL
    • 1-Ethyl-2-hydroxybenzene
    • 1-Hydroxy-2-ethylbenzene
    • Phenol, ethyl-
    • Florol
    • Florol [Czech]
    • o-Ethyl phenol
    • 2-Ethyl-phenol
    • 25429-37-2
    • NSC 10112
    • Benzene, 1-ethyl-2-hydroxy-
    • CCRIS 6038
    • HSDB 5267
    • EINECS 201-958-4
    • UNII-C27Y543KVA
    • MFCD00002249
    • o-Hydroxyethylbenzene
    • UNII-355O0P4JU7
    • BRN 1099397
    • DTXSID1022479
    • NSC-10112
    • 2-ETHYLPHENOL [MI]
    • C27Y543KVA
    • DTXCID702479
    • CHEBI:34275
    • 355O0P4JU7
    • 4-06-00-03011 (Beilstein Handbook Reference)
    • METACRESOL IMPURITY E [EP IMPURITY]
    • CAS-90-00-6
    • METACRESOL IMPURITY E (EP IMPURITY)
    • oEthylphenol
    • Phenol, oethyl
    • 2-ethyl phenol
    • Phenol, 2ethyl
    • ethylphenyl alcohol
    • 1Ethyl2hydroxybenzene
    • 1Hydroxy2ethylbenzene
    • 2-Ethylphenol, 99%
    • PHENOL, O-ETHYL
    • Benzene, 1ethyl2hydroxy
    • SCHEMBL51108
    • BIDD:ER0661
    • CHEMBL321029
    • SGCUT00114
    • NSC10112
    • STR06133
    • to_000008
    • WDB42963
    • Tox21_202327
    • Tox21_302885
    • AKOS000119353
    • FE54825
    • NCGC00091780-01
    • NCGC00091780-02
    • NCGC00256439-01
    • NCGC00259876-01
    • 2-Ethylphenol 100 microg/mL in Methanol
    • SY012952
    • 2-Ethylphenol 1000 microg/mL in Methanol
    • DB-021047
    • CS-0152504
    • E0160
    • NS00020546
    • EN300-20199
    • A15993
    • G69374
    • 2-Ethylphenol, PESTANAL(R), analytical standard
    • Q27115959
    • Z104477226
    • JZ1

  • Applications

    2-Ethylphenol (CAS 90-00-6) is primarily used as an intermediate in the synthesis of fragrance compounds and other specialty organic materials; it is commonly employed as a raw material for fragrance ingredients in cosmetics and personal care products; it also serves as a precursor or functional component in coatings, resins, and inks for industrial coatings and printing applications; in polymer and plastics manufacturing, it can be used as an intermediate to form specialty polymers or resin formulations; and it may function as a processing aid or solvent in certain industrial manufacturing steps, with use governed by local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4398.62
    methanol 5372.95
    isopropanol 2755.66
    water 3.94
    ethyl acetate 2679.72
    n-propanol 2987.92
    acetone 4375.05
    n-butanol 2058.82
    acetonitrile 5443.51
    DMF 2830.98
    toluene 624.04
    isobutanol 1888.66
    1,4-dioxane 6934.08
    methyl acetate 2714.86
    THF 5823.19
    2-butanone 2835.29
    n-pentanol 1476.99
    sec-butanol 1708.46
    n-hexane 506.47
    ethylene glycol 361.02
    NMP 2171.59
    cyclohexane 427.5
    DMSO 4773.25
    n-butyl acetate 2116.57
    n-octanol 648.21
    chloroform 4238.09
    n-propyl acetate 2063.34
    acetic acid 1806.84
    dichloromethane 4757.35
    cyclohexanone 2927.73
    propylene glycol 373.7
    isopropyl acetate 1145.92
    DMAc 820.26
    2-ethoxyethanol 1687.08
    isopentanol 1374.13
    n-heptane 215.96
    ethyl formate 1849.32
    1,2-dichloroethane 3291.42
    n-hexanol 1507.48
    2-methoxyethanol 2341.44
    isobutyl acetate 1069.58
    tetrachloromethane 856.99
    n-pentyl acetate 882.98
    transcutol 3319.69
    n-heptanol 633.35
    ethylbenzene 368.2
    MIBK 984.41
    2-propoxyethanol 1977.65
    tert-butanol 2464.38
    MTBE 2534.97
    2-butoxyethanol 929.08
    propionic acid 1901.32
    o-xylene 297.83
    formic acid 572.47
    diethyl ether 4042.42
    m-xylene 381.24
    p-xylene 449.43
    chlorobenzene 1063.52
    dimethyl carbonate 587.12
    n-octane 112.6
    formamide 1288.37
    cyclopentanone 3317.65
    2-pentanone 2159.37
    anisole 986.25
    cyclopentyl methyl ether 2094.46
    gamma-butyrolactone 3930.34
    1-methoxy-2-propanol 1560.74
    pyridine 2435.2
    3-pentanone 1293.21
    furfural 1880.14
    n-dodecane 83.89
    diethylene glycol 948.88
    diisopropyl ether 726.52
    tert-amyl alcohol 1487.17
    acetylacetone 1440.02
    n-hexadecane 93.64
    acetophenone 655.28
    methyl propionate 1672.25
    isopentyl acetate 1333.42
    trichloroethylene 3941.09
    n-nonanol 545.62
    cyclohexanol 1194.83
    benzyl alcohol 564.17
    2-ethylhexanol 713.98
    isooctanol 521.02
    dipropyl ether 1271.67
    1,2-dichlorobenzene 747.26
    ethyl lactate 439.02
    propylene carbonate 1603.29
    n-methylformamide 2444.27
    2-pentanol 1293.81
    n-pentane 385.52
    1-propoxy-2-propanol 1254.56
    1-methoxy-2-propyl acetate 995.0
    2-(2-methoxypropoxy) propanol 616.06
    mesitylene 258.8
    ε-caprolactone 2280.42
    p-cymene 187.74
    epichlorohydrin 4344.11
    1,1,1-trichloroethane 2460.07
    2-aminoethanol 938.69
    morpholine-4-carbaldehyde 2331.8
    sulfolane 3504.82
    2,2,4-trimethylpentane 124.61
    2-methyltetrahydrofuran 4162.32
    n-hexyl acetate 1144.08
    isooctane 146.82
    2-(2-butoxyethoxy)ethanol 1066.31
    sec-butyl acetate 908.4
    tert-butyl acetate 1134.31
    decalin 159.36
    glycerin 414.75
    diglyme 1924.65
    acrylic acid 1207.47
    isopropyl myristate 416.13
    n-butyric acid 2135.3
    acetyl acetate 833.3
    di(2-ethylhexyl) phthalate 246.3
    ethyl propionate 1210.27
    nitromethane 4312.14
    1,2-diethoxyethane 1988.87
    benzonitrile 993.42
    trioctyl phosphate 254.75
    1-bromopropane 2314.55
    gamma-valerolactone 3607.61
    n-decanol 412.12
    triethyl phosphate 280.81
    4-methyl-2-pentanol 587.17
    propionitrile 3068.72
    vinylene carbonate 1351.95
    1,1,2-trichlorotrifluoroethane 1244.9
    DMS 681.75
    cumene 244.93
    2-octanol 477.62
    2-hexanone 1802.58
    octyl acetate 537.42
    limonene 308.74
    1,2-dimethoxyethane 3161.24
    ethyl orthosilicate 283.14
    tributyl phosphate 305.98
    diacetone alcohol 972.95
    N,N-dimethylaniline 457.28
    acrylonitrile 2996.94
    aniline 852.42
    1,3-propanediol 1384.02
    bromobenzene 1041.09
    dibromomethane 3312.88
    1,1,2,2-tetrachloroethane 2639.65
    2-methyl-cyclohexyl acetate 535.37
    tetrabutyl urea 348.14
    diisobutyl methanol 377.35
    2-phenylethanol 652.56
    styrene 528.27
    dioctyl adipate 428.91
    dimethyl sulfate 722.59
    ethyl butyrate 1130.12
    methyl lactate 489.09
    butyl lactate 472.01
    diethyl carbonate 607.16
    propanediol butyl ether 668.63
    triethyl orthoformate 558.06
    p-tert-butyltoluene 197.35
    methyl 4-tert-butylbenzoate 486.34
    morpholine 5791.07
    tert-butylamine 1582.51
    n-dodecanol 312.16
    dimethoxymethane 2167.42
    ethylene carbonate 1342.18
    cyrene 487.91
    2-ethoxyethyl acetate 1030.77
    2-ethylhexyl acetate 966.45
    1,2,4-trichlorobenzene 801.77
    4-methylpyridine 2077.44
    dibutyl ether 1012.41
    2,6-dimethyl-4-heptanol 377.35
    DEF 1611.64
    dimethyl isosorbide 986.19
    tetrachloroethylene 1843.13
    eugenol 500.24
    triacetin 589.06
    span 80 567.29
    1,4-butanediol 535.57
    1,1-dichloroethane 3712.81
    2-methyl-1-pentanol 1010.18
    methyl formate 1720.77
    2-methyl-1-butanol 1254.73
    n-decane 139.32
    butyronitrile 2741.92
    3,7-dimethyl-1-octanol 525.68
    1-chlorooctane 496.22
    1-chlorotetradecane 188.4
    n-nonane 150.89
    undecane 105.83
    tert-butylcyclohexane 182.26
    cyclooctane 136.47
    cyclopentanol 1504.52
    tetrahydropyran 5432.93
    tert-amyl methyl ether 1100.39
    2,5,8-trioxanonane 1116.46
    1-hexene 1401.27
    2-isopropoxyethanol 1170.01
    2,2,2-trifluoroethanol 498.1
    methyl butyrate 1696.87

    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

Botanical

Name CAS Botanical Proportion
Mullilam leaf (India) Zanthoxylum rhetsa D.C. syn. Z. limonella (Dennst.) Alston, fam. Rutaceae 0.01%