2-sec-Butylphenol

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  • Identifiers

    CAS number
    89-72-5

    Molecular formula
    C10H14O

    SMILES
    CCC(C)C1=CC=CC=C1O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 83.97%
    Spicy 70.91%
    Smoky 62.18%
    Medicinal 60.85%
    Leathery 48.86%
    Woody 45.0%
    Burnt 41.92%
    Herbal 38.78%
    Animal 33.44%
    Musty 28.59%

     

    Flavor
    Phenolic 61.1%
    Medicinal 58.77%
    Woody 42.52%
    Spice 41.35%
    Spicy 40.19%
    Herbal 38.93%
    Camphor 32.28%
    Smoky 27.2%
    Guaiacol 27.08%
    Creosote 26.05%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    10.07 (weak base)

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • 54 °F (NTP, 1992)
    • 14 °C
    • 57 °F
    • 61 °F

    Boiling point

    • 439 to 442 °F at 760 mmHg (NTP, 1992)
    • 224-237 °C
    • 439-442 °F
    • 227 °F

    Flash point

    • 105.0 ˚C est.
    • 234 °F (NTP, 1992)
    • 234 °F
    • 107 °C
    • 225 °F

    Solubility expt.

    • less than 1 mg/mL at 68 °F (NTP, 1992)
    • INSOL IN WATER; SOL IN ALCOHOL, ETHER & ALKALIES
    • Insoluble in water, slightly soluble in alcohol, ether, and alkalies.
    • Solubility in water: none
    • Insoluble

  • Synonyms

    • 2-sec-Butylphenol
    • 89-72-5
    • o-sec-Butylphenol
    • 2-(1-METHYLPROPYL)PHENOL
    • 2-(butan-2-yl)phenol
    • 2-(2-Butyl)phenol
    • Phenol, 2-(1-methylpropyl)-
    • 2-butan-2-ylphenol
    • 2-sec.Butylfenol
    • ortho-sec-butylphenol
    • DTXSID2022331
    • 025P24OTM5
    • DTXCID102331
    • CHEBI:34303
    • RefChem:483531
    • 201-933-8
    • 2-(sec-Butyl)phenol
    • Phenol, o-sec-butyl-
    • MFCD00002225
    • o-sec.-butylphenol
    • CHEMBL30193
    • 2-(methylpropyl)phenol
    • 2-sec.Butylfenol [Czech]
    • CAS-89-72-5
    • Isopropyl o-cresol
    • CCRIS 6218
    • HSDB 5266
    • EINECS 201-933-8
    • BRN 1210026
    • sec-butylphenol
    • UNII-025P24OTM5
    • 2-s-butylphenol
    • o-sec-Butyl-phenol; 2-(1-Methylpropyl)phenol; (+/-)-2-sec-Butylphenol; 2-(2-Butyl)phenol; o-sec-Butylphenol
    • 2-Sec. butylphenol
    • (R)-2-sec-butylphenol
    • 2-sec-Butylphenol, 98%
    • EC 201-933-8
    • 3-06-00-01852 (Beilstein Handbook Reference)
    • MLS001055345
    • SCHEMBL282162
    • SCHEMBL395853
    • SCHEMBL930890
    • orb3023364
    • SCHEMBL9355765
    • SGCUT00117
    • HMS3039C13
    • AAA08972
    • to_000028
    • (+/-)-2-SEC-BUTYLPHENOL
    • Tox21_201372
    • Tox21_300047
    • BDBM50410500
    • SBB061123
    • AKOS000120753
    • MSK8735-1000A
    • EBC-612912
    • Ethanone, 1- (2, 4-dimethylphenyl)-
    • NCGC00090979-01
    • NCGC00090979-02
    • NCGC00090979-03
    • NCGC00090979-04
    • NCGC00090979-05
    • NCGC00254042-01
    • NCGC00258923-01
    • 2-(1-METHYLPROPYL)PHENOL [HSDB]
    • 53466-96-9
    • BS-23943
    • SMR000673564
    • SY048825
    • 1-HYDROXY-2-(1-METHYLPROPYL)BENZENE
    • B0732
    • CS-0152626
    • NS00010133
    • ST50824243
    • EN300-20954
    • E77172
    • F099269
    • Q20156241
    • Q27115978
    • 2-sec-Butylphenol Solution in Acetonitrile, 1000ug/mL
    • F0001-2199
    • 89-72-5

  • Applications

    2-sec-Butylphenol (CAS 89-72-5) is primarily used as an intermediate and odorant in several industrial sectors. In perfumery/fragrance and cosmetics/personal care, it can function as a fragrance ingredient or scent-building block. In household products and cleaning formulations, it may act as an odor-active additive or processing intermediate. In industrial manufacturing and coatings/inks, it is used as an intermediate for the synthesis of specialty chemicals and resin systems. In polymers/plastics, it serves as a building block for related phenolic derivatives used in protective coatings and polymer formulations. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5353.29
    methanol 3483.5
    isopropanol 4265.03
    water 0.87
    ethyl acetate 2077.59
    n-propanol 3819.59
    acetone 3929.93
    n-butanol 2868.0
    acetonitrile 5604.59
    DMF 3754.18
    toluene 738.27
    isobutanol 2404.2
    1,4-dioxane 4707.61
    methyl acetate 2442.49
    THF 5163.71
    2-butanone 2800.78
    n-pentanol 1485.72
    sec-butanol 2243.74
    n-hexane 430.01
    ethylene glycol 305.8
    NMP 1442.46
    cyclohexane 544.5
    DMSO 3423.72
    n-butyl acetate 2401.42
    n-octanol 735.45
    chloroform 5080.51
    n-propyl acetate 1346.54
    acetic acid 1225.5
    dichloromethane 5962.06
    cyclohexanone 2864.87
    propylene glycol 455.88
    isopropyl acetate 928.08
    DMAc 1099.84
    2-ethoxyethanol 1194.67
    isopentanol 1593.63
    n-heptane 342.54
    ethyl formate 1917.25
    1,2-dichloroethane 3784.53
    n-hexanol 2488.18
    2-methoxyethanol 2184.41
    isobutyl acetate 712.4
    tetrachloromethane 793.23
    n-pentyl acetate 808.01
    transcutol 1946.34
    n-heptanol 771.18
    ethylbenzene 392.97
    MIBK 850.92
    2-propoxyethanol 2155.63
    tert-butanol 2904.66
    MTBE 2274.15
    2-butoxyethanol 866.09
    propionic acid 1488.75
    o-xylene 349.05
    formic acid 239.07
    diethyl ether 3151.98
    m-xylene 455.86
    p-xylene 443.7
    chlorobenzene 1122.76
    dimethyl carbonate 415.22
    n-octane 153.43
    formamide 627.29
    cyclopentanone 3020.3
    2-pentanone 2103.52
    anisole 744.4
    cyclopentyl methyl ether 1707.87
    gamma-butyrolactone 3103.13
    1-methoxy-2-propanol 1506.91
    pyridine 2598.54
    3-pentanone 1172.29
    furfural 1498.07
    n-dodecane 105.67
    diethylene glycol 906.99
    diisopropyl ether 585.22
    tert-amyl alcohol 1532.65
    acetylacetone 1141.73
    n-hexadecane 120.74
    acetophenone 500.43
    methyl propionate 1341.19
    isopentyl acetate 1457.36
    trichloroethylene 4439.23
    n-nonanol 567.3
    cyclohexanol 1476.22
    benzyl alcohol 503.36
    2-ethylhexanol 995.03
    isooctanol 550.52
    dipropyl ether 1556.21
    1,2-dichlorobenzene 730.25
    ethyl lactate 323.96
    propylene carbonate 1313.85
    n-methylformamide 2539.71
    2-pentanol 1465.31
    n-pentane 425.5
    1-propoxy-2-propanol 1532.28
    1-methoxy-2-propyl acetate 971.44
    2-(2-methoxypropoxy) propanol 481.85
    mesitylene 288.87
    ε-caprolactone 1817.68
    p-cymene 291.65
    epichlorohydrin 3871.95
    1,1,1-trichloroethane 2498.62
    2-aminoethanol 836.32
    morpholine-4-carbaldehyde 1573.85
    sulfolane 2279.43
    2,2,4-trimethylpentane 125.47
    2-methyltetrahydrofuran 3372.42
    n-hexyl acetate 1049.04
    isooctane 144.11
    2-(2-butoxyethoxy)ethanol 816.4
    sec-butyl acetate 575.15
    tert-butyl acetate 810.82
    decalin 163.23
    glycerin 379.81
    diglyme 1577.15
    acrylic acid 802.28
    isopropyl myristate 351.19
    n-butyric acid 2018.7
    acetyl acetate 622.12
    di(2-ethylhexyl) phthalate 233.54
    ethyl propionate 809.02
    nitromethane 2779.64
    1,2-diethoxyethane 1550.11
    benzonitrile 1089.75
    trioctyl phosphate 240.44
    1-bromopropane 2906.33
    gamma-valerolactone 2816.18
    n-decanol 432.87
    triethyl phosphate 251.88
    4-methyl-2-pentanol 571.3
    propionitrile 3775.95
    vinylene carbonate 1173.98
    1,1,2-trichlorotrifluoroethane 954.9
    DMS 493.84
    cumene 261.45
    2-octanol 533.25
    2-hexanone 1409.67
    octyl acetate 470.92
    limonene 498.99
    1,2-dimethoxyethane 2643.08
    ethyl orthosilicate 257.49
    tributyl phosphate 260.59
    diacetone alcohol 782.1
    N,N-dimethylaniline 367.41
    acrylonitrile 3256.02
    aniline 854.32
    1,3-propanediol 1409.94
    bromobenzene 1208.69
    dibromomethane 4359.02
    1,1,2,2-tetrachloroethane 2860.53
    2-methyl-cyclohexyl acetate 489.68
    tetrabutyl urea 334.96
    diisobutyl methanol 462.33
    2-phenylethanol 699.95
    styrene 537.15
    dioctyl adipate 375.2
    dimethyl sulfate 481.88
    ethyl butyrate 1017.9
    methyl lactate 380.5
    butyl lactate 439.74
    diethyl carbonate 525.14
    propanediol butyl ether 648.72
    triethyl orthoformate 525.06
    p-tert-butyltoluene 280.2
    methyl 4-tert-butylbenzoate 442.28
    morpholine 4974.67
    tert-butylamine 1837.82
    n-dodecanol 337.01
    dimethoxymethane 2026.13
    ethylene carbonate 1172.81
    cyrene 363.09
    2-ethoxyethyl acetate 803.08
    2-ethylhexyl acetate 1002.9
    1,2,4-trichlorobenzene 709.42
    4-methylpyridine 2097.38
    dibutyl ether 1003.66
    2,6-dimethyl-4-heptanol 462.33
    DEF 1503.6
    dimethyl isosorbide 758.19
    tetrachloroethylene 1770.36
    eugenol 422.2
    triacetin 446.19
    span 80 497.05
    1,4-butanediol 482.68
    1,1-dichloroethane 4334.9
    2-methyl-1-pentanol 899.34
    methyl formate 1589.09
    2-methyl-1-butanol 1464.47
    n-decane 183.05
    butyronitrile 3742.52
    3,7-dimethyl-1-octanol 549.59
    1-chlorooctane 601.16
    1-chlorotetradecane 223.15
    n-nonane 201.58
    undecane 138.4
    tert-butylcyclohexane 165.33
    cyclooctane 161.61
    cyclopentanol 1806.53
    tetrahydropyran 4698.96
    tert-amyl methyl ether 957.9
    2,5,8-trioxanonane 847.92
    1-hexene 1338.85
    2-isopropoxyethanol 810.88
    2,2,2-trifluoroethanol 281.12
    methyl butyrate 1284.07

    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