2,5-Diisopropylphenol

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  • Identifiers

    CAS number
    35946-91-9

    Molecular formula
    C12H18O

    SMILES
    CC(C)C1=CC(=C(C=C1)C(C)C)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 77.93%
    Spicy 74.22%
    Herbal 60.93%
    Woody 60.05%
    Medicinal 58.95%
    Smoky 52.82%
    Leathery 47.82%
    Camphoreous 40.84%
    Burnt 38.5%
    Mint 30.57%

     

    Flavor
    Woody 51.68%
    Herbal 44.0%
    Spice 42.0%
    Medicinal 41.68%
    Camphor 37.38%
    Phenolic 36.33%
    Spicy 33.78%
    Creosote 24.8%
    Herb 24.69%
    Terpene 24.2%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    10.3 (weak base)

    Molecular weight
    178.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    250°C

    Melting point expt.

    • 95.5 °C

    Flash point

    • 116.63 ˚C est.

  • Synonyms

    • 2,5-Diisopropylphenol
    • 35946-91-9
    • 2,5-bis(propan-2-yl)phenol
    • Phenol, 2,5-bis(1-methylethyl)-
    • EINECS 252-807-4
    • H4WT3D9GR6
    • 2,5-BIS(1-METHYLETHYL)PHENOL
    • DTXSID2073483
    • PROPOFOL IMPURITY D [EP IMPURITY]
    • PROPOFOL IMPURITY D (EP IMPURITY)
    • RefChem:444446
    • DTXCID8039118
    • 252-807-4
    • 2,5-di(propan-2-yl)phenol
    • Propofol EP impurity D
    • MFCD00026396
    • UNII-H4WT3D9GR6
    • 2,5-Bis(1-methylethyl)phenol; 2,5-Diisopropylphenol; Propofol Imp. D (EP)
    • Phenol,2,5-bis(1-methylethyl)-
    • 2,5diisopropylphenol
    • SCHEMBL771497
    • SCHEMBL4396874
    • SCHEMBL9802941
    • CHEMBL1795398
    • 2,5-bis(1-methylethyl)-phenol
    • VFNUNYPYULIJSN-UHFFFAOYSA-
    • CHEBI:138753
    • EX-A2718
    • KBA94691
    • EBC-12260
    • 2,5-Bis(1-methylethyl)phenol, 9CI
    • AKOS024058692
    • AC-31575
    • AS-78349
    • SY217743
    • DB-250879
    • CS-0154292
    • NS00029955
    • D95142
    • EN300-310457
    • F694979
    • 2,5-bis(1-methylethyl)phenol; 2,5-diisopropylphenol
    • Q27279642
    • Z1255450103
    • InChI=1/C12H18O/c1-8(2)10-5-6-11(9(3)4)12(13)7-10/h5-9,13H,1-4H3
    • 35946-91-9

  • Applications

    2,5-Diisopropylphenol (CAS 35946-91-9) is used primarily as a hindered phenolic antioxidant and stabilizer in industrial formulations. In polymers and plastics, it acts as an antioxidant and heat stabilizer to retard degradation of polyolefins and related resins. It is also employed as an additive in coatings and inks to improve oxidative stability, and in lubricants and fuels as an oxidation inhibitor to extend shelf life and performance. In adhesives and sealants, it can function as a stabilizer within resin systems. Additionally, it serves as a chemical intermediate in the manufacture of specialty antioxidants and other processing aids. Use is subject to formulation constraints and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1157.13
    methanol 1157.89
    isopropanol 998.99
    water 0.36
    ethyl acetate 1023.85
    n-propanol 1090.27
    acetone 1521.86
    n-butanol 1046.55
    acetonitrile 1293.97
    DMF 1912.01
    toluene 470.01
    isobutanol 779.17
    1,4-dioxane 2714.95
    methyl acetate 916.64
    THF 3288.56
    2-butanone 1208.61
    n-pentanol 620.45
    sec-butanol 757.32
    n-hexane 774.0
    ethylene glycol 70.84
    NMP 967.79
    cyclohexane 726.47
    DMSO 767.79
    n-butyl acetate 1173.5
    n-octanol 319.77
    chloroform 1772.33
    n-propyl acetate 625.42
    acetic acid 506.86
    dichloromethane 1346.09
    cyclohexanone 1769.81
    propylene glycol 122.23
    isopropyl acetate 657.48
    DMAc 895.97
    2-ethoxyethanol 532.7
    isopentanol 851.95
    n-heptane 246.4
    ethyl formate 527.92
    1,2-dichloroethane 1469.81
    n-hexanol 1275.61
    2-methoxyethanol 988.76
    isobutyl acetate 423.24
    tetrachloromethane 390.33
    n-pentyl acetate 447.68
    transcutol 1230.46
    n-heptanol 406.36
    ethylbenzene 300.42
    MIBK 569.14
    2-propoxyethanol 1183.1
    tert-butanol 1371.16
    MTBE 1932.1
    2-butoxyethanol 487.26
    propionic acid 478.19
    o-xylene 274.75
    formic acid 99.84
    diethyl ether 2352.75
    m-xylene 335.95
    p-xylene 394.86
    chlorobenzene 627.3
    dimethyl carbonate 260.73
    n-octane 102.66
    formamide 222.04
    cyclopentanone 1892.96
    2-pentanone 1070.08
    anisole 497.43
    cyclopentyl methyl ether 1292.41
    gamma-butyrolactone 1554.25
    1-methoxy-2-propanol 745.88
    pyridine 1243.6
    3-pentanone 858.36
    furfural 800.37
    n-dodecane 50.63
    diethylene glycol 416.3
    diisopropyl ether 596.67
    tert-amyl alcohol 884.19
    acetylacetone 711.64
    n-hexadecane 60.32
    acetophenone 347.41
    methyl propionate 716.21
    isopentyl acetate 933.48
    trichloroethylene 1784.31
    n-nonanol 283.15
    cyclohexanol 792.51
    benzyl alcohol 294.08
    2-ethylhexanol 564.56
    isooctanol 316.02
    dipropyl ether 994.26
    1,2-dichlorobenzene 455.72
    ethyl lactate 165.47
    propylene carbonate 678.78
    n-methylformamide 712.04
    2-pentanol 666.6
    n-pentane 473.11
    1-propoxy-2-propanol 787.29
    1-methoxy-2-propyl acetate 612.1
    2-(2-methoxypropoxy) propanol 306.87
    mesitylene 236.74
    ε-caprolactone 1092.85
    p-cymene 175.34
    epichlorohydrin 1734.15
    1,1,1-trichloroethane 1250.62
    2-aminoethanol 240.13
    morpholine-4-carbaldehyde 1073.34
    sulfolane 1160.49
    2,2,4-trimethylpentane 127.99
    2-methyltetrahydrofuran 1959.37
    n-hexyl acetate 611.38
    isooctane 124.47
    2-(2-butoxyethoxy)ethanol 521.34
    sec-butyl acetate 415.3
    tert-butyl acetate 704.47
    decalin 190.64
    glycerin 143.24
    diglyme 954.47
    acrylic acid 308.11
    isopropyl myristate 221.36
    n-butyric acid 841.38
    acetyl acetate 408.54
    di(2-ethylhexyl) phthalate 156.66
    ethyl propionate 504.93
    nitromethane 908.09
    1,2-diethoxyethane 973.54
    benzonitrile 449.8
    trioctyl phosphate 144.23
    1-bromopropane 1094.34
    gamma-valerolactone 1831.3
    n-decanol 210.4
    triethyl phosphate 186.13
    4-methyl-2-pentanol 381.32
    propionitrile 1154.67
    vinylene carbonate 581.96
    1,1,2-trichlorotrifluoroethane 607.86
    DMS 345.62
    cumene 201.35
    2-octanol 270.08
    2-hexanone 744.28
    octyl acetate 283.44
    limonene 308.33
    1,2-dimethoxyethane 1673.1
    ethyl orthosilicate 210.25
    tributyl phosphate 172.38
    diacetone alcohol 539.5
    N,N-dimethylaniline 299.43
    acrylonitrile 965.01
    aniline 503.88
    1,3-propanediol 482.76
    bromobenzene 608.26
    dibromomethane 1118.33
    1,1,2,2-tetrachloroethane 1525.09
    2-methyl-cyclohexyl acetate 370.74
    tetrabutyl urea 210.59
    diisobutyl methanol 285.46
    2-phenylethanol 440.33
    styrene 350.74
    dioctyl adipate 241.9
    dimethyl sulfate 297.02
    ethyl butyrate 554.4
    methyl lactate 201.77
    butyl lactate 268.07
    diethyl carbonate 312.16
    propanediol butyl ether 296.21
    triethyl orthoformate 369.91
    p-tert-butyltoluene 189.81
    methyl 4-tert-butylbenzoate 293.98
    morpholine 2708.27
    tert-butylamine 1112.47
    n-dodecanol 159.16
    dimethoxymethane 1187.62
    ethylene carbonate 594.72
    cyrene 265.95
    2-ethoxyethyl acetate 474.34
    2-ethylhexyl acetate 712.77
    1,2,4-trichlorobenzene 460.32
    4-methylpyridine 1120.61
    dibutyl ether 621.01
    2,6-dimethyl-4-heptanol 285.46
    DEF 1003.53
    dimethyl isosorbide 556.85
    tetrachloroethylene 973.76
    eugenol 276.69
    triacetin 284.16
    span 80 310.88
    1,4-butanediol 155.69
    1,1-dichloroethane 1390.52
    2-methyl-1-pentanol 518.22
    methyl formate 490.28
    2-methyl-1-butanol 726.64
    n-decane 101.65
    butyronitrile 1167.65
    3,7-dimethyl-1-octanol 303.37
    1-chlorooctane 321.97
    1-chlorotetradecane 110.11
    n-nonane 110.91
    undecane 68.76
    tert-butylcyclohexane 176.17
    cyclooctane 210.62
    cyclopentanol 746.56
    tetrahydropyran 3024.53
    tert-amyl methyl ether 920.8
    2,5,8-trioxanonane 516.6
    1-hexene 1268.65
    2-isopropoxyethanol 416.22
    2,2,2-trifluoroethanol 146.76
    methyl butyrate 704.16

    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