Hthq

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  • Identifiers

    CAS number
    148081-72-5

    Molecular formula
    C15H24O2

    SMILES
    CCCCCCOC1=C(C(=C(C(=C1)C)O)C)C

    Safety labels

  • Odor profile

    Fragrance
    Spicy 73.97%
    Phenolic 60.59%
    Smoky 49.45%
    Woody 44.8%
    Sweet 42.48%
    Burnt 38.9%
    Balsamic 37.42%
    Vanilla 34.65%
    Clove 34.22%
    Medicinal 33.96%

     

    Flavor
    Spicy 47.85%
    Phenolic 41.42%
    Spice 39.88%
    Woody 38.25%
    Smoky 34.66%
    Medicinal 31.54%
    Herbal 30.32%
    Clove 28.61%
    Burnt 26.87%
    Bacon 26.77%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    9.94 (weak base)

    Molecular weight
    236.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    337°C

    Flash point

    • 138.98 ˚C est.

  • Synonyms

    • HTHQ
    • 148081-72-5
    • 1-O-Hexyl-2,3,5-trimethylhydroquinone
    • 4-(Hexyloxy)-2,3,6-trimethylphenol
    • HX-1171
    • Phenol, 4-(hexyloxy)-2,3,6-trimethyl-
    • hexyloxy trimethylphenol
    • DTXSID1020697
    • 70BK60I8RP
    • DTXCID50697
    • HTHQ-2,3,5
    • RefChem:76712
    • 4-hexoxy-2,3,6-trimethylphenol
    • 4-Hexyloxy-2,3,6-trimethylphenol
    • MFCD00927896
    • 4-(Hexyloxy)-2,3,6-trimethyl-phenol
    • CCRIS 7478
    • UNII-70BK60I8RP
    • Phenol,4-(hexyloxy)-2,3,6-trimethyl-
    • HX 1171
    • HTHQ?
    • SCHEMBL688955
    • orb1303960
    • CHEMBL3182532
    • SCHEMBL29375871
    • HMS6018M10
    • 4-hexoxy-2,3,6-trimethyl-phenol
    • EX-A2453
    • Tox21_301245
    • s5314
    • AKOS030239845
    • CCG-266843
    • CS-5979
    • DB12162
    • FH23824
    • NCGC00255289-01
    • AC-35787
    • AS-63071
    • BP-42540
    • DB-312282
    • HY-100768
    • CAS-148081-72-5
    • H1741
    • NS00068601
    • HTHQ(1-O-Hexyl-2,3,5-trimethylhydroquinone)
    • F865661
    • HEXYL-2,3,5-TRIMETHYLHYDROQUINONE, 1-O-
    • Q27265853
    • 148081-72-5

  • Applications

    Hthq (CAS 148081-72-5) is used primarily as an organic synthesis intermediate and as a solvent or co-solvent in specialty formulations. In the fields of polymers and coatings, it may function as a processing aid and stabilizer (antioxidant or heat stabilizer), helping to improve processing performance and the durability of formulations. It can be incorporated as an additive in inks, coatings, and adhesives to adjust viscosity and compatibility. In cleaning and formulation contexts, it may serve as a solvent component or coupling/compatibility agent, typically used under controlled conditions and within regulatory limits. These applications reflect common industrial use across sectors, with final use depending on local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5694.67
    methanol 4877.4
    isopropanol 4121.43
    water 0.33
    ethyl acetate 8438.03
    n-propanol 4796.67
    acetone 6619.67
    n-butanol 4147.96
    acetonitrile 6126.0
    DMF 3711.55
    toluene 1527.51
    isobutanol 3236.46
    1,4-dioxane 7829.98
    methyl acetate 5675.81
    THF 6187.81
    2-butanone 5687.61
    n-pentanol 2202.3
    sec-butanol 3645.28
    n-hexane 962.92
    ethylene glycol 156.08
    NMP 1329.06
    cyclohexane 1424.49
    DMSO 2502.77
    n-butyl acetate 6085.84
    n-octanol 923.5
    chloroform 8260.61
    n-propyl acetate 4221.25
    acetic acid 1975.32
    dichloromethane 9627.78
    cyclohexanone 5293.18
    propylene glycol 325.78
    isopropyl acetate 4488.73
    DMAc 2320.19
    2-ethoxyethanol 2897.45
    isopentanol 3251.86
    n-heptane 380.66
    ethyl formate 2902.39
    1,2-dichloroethane 7852.25
    n-hexanol 2848.21
    2-methoxyethanol 3890.16
    isobutyl acetate 2391.38
    tetrachloromethane 1712.04
    n-pentyl acetate 2515.3
    transcutol 6039.96
    n-heptanol 999.13
    ethylbenzene 1013.08
    MIBK 2228.24
    2-propoxyethanol 3376.14
    tert-butanol 5126.89
    MTBE 10133.29
    2-butoxyethanol 1632.67
    propionic acid 2043.05
    o-xylene 899.33
    formic acid 315.39
    diethyl ether 12657.24
    m-xylene 990.81
    p-xylene 1285.13
    chlorobenzene 2313.38
    dimethyl carbonate 1101.4
    n-octane 220.98
    formamide 868.91
    cyclopentanone 3719.31
    2-pentanone 4814.82
    anisole 1980.26
    cyclopentyl methyl ether 3262.94
    gamma-butyrolactone 3863.9
    1-methoxy-2-propanol 2619.68
    pyridine 3884.41
    3-pentanone 3567.75
    furfural 2346.59
    n-dodecane 127.9
    diethylene glycol 1223.77
    diisopropyl ether 2464.83
    tert-amyl alcohol 3986.56
    acetylacetone 3485.21
    n-hexadecane 152.09
    acetophenone 1457.13
    methyl propionate 4046.65
    isopentyl acetate 4336.31
    trichloroethylene 8368.47
    n-nonanol 804.18
    cyclohexanol 2518.92
    benzyl alcohol 1080.62
    2-ethylhexanol 1572.42
    isooctanol 883.88
    dipropyl ether 3249.49
    1,2-dichlorobenzene 1837.71
    ethyl lactate 707.79
    propylene carbonate 2238.17
    n-methylformamide 2045.84
    2-pentanol 2949.35
    n-pentane 799.01
    1-propoxy-2-propanol 2399.44
    1-methoxy-2-propyl acetate 2647.29
    2-(2-methoxypropoxy) propanol 970.05
    mesitylene 705.57
    ε-caprolactone 4301.16
    p-cymene 530.26
    epichlorohydrin 5801.36
    1,1,1-trichloroethane 5966.96
    2-aminoethanol 687.93
    morpholine-4-carbaldehyde 2511.04
    sulfolane 2441.36
    2,2,4-trimethylpentane 313.22
    2-methyltetrahydrofuran 5572.55
    n-hexyl acetate 2466.57
    isooctane 277.69
    2-(2-butoxyethoxy)ethanol 1663.37
    sec-butyl acetate 2635.76
    tert-butyl acetate 3701.12
    decalin 417.62
    glycerin 323.31
    diglyme 3524.06
    acrylic acid 986.51
    isopropyl myristate 836.36
    n-butyric acid 4002.67
    acetyl acetate 3151.44
    di(2-ethylhexyl) phthalate 470.54
    ethyl propionate 3059.21
    nitromethane 4112.04
    1,2-diethoxyethane 5675.54
    benzonitrile 1711.54
    trioctyl phosphate 426.11
    1-bromopropane 5118.61
    gamma-valerolactone 4649.81
    n-decanol 572.1
    triethyl phosphate 699.12
    4-methyl-2-pentanol 1283.25
    propionitrile 4915.46
    vinylene carbonate 2031.45
    1,1,2-trichlorotrifluoroethane 1828.54
    DMS 1608.4
    cumene 666.15
    2-octanol 827.42
    2-hexanone 3005.72
    octyl acetate 1027.49
    limonene 870.08
    1,2-dimethoxyethane 6245.83
    ethyl orthosilicate 785.91
    tributyl phosphate 615.46
    diacetone alcohol 1982.06
    N,N-dimethylaniline 1025.09
    acrylonitrile 3612.3
    aniline 1594.5
    1,3-propanediol 1713.82
    bromobenzene 2650.65
    dibromomethane 6813.34
    1,1,2,2-tetrachloroethane 6652.96
    2-methyl-cyclohexyl acetate 1377.21
    tetrabutyl urea 639.02
    diisobutyl methanol 756.21
    2-phenylethanol 1309.49
    styrene 1342.09
    dioctyl adipate 903.89
    dimethyl sulfate 968.72
    ethyl butyrate 2952.02
    methyl lactate 681.03
    butyl lactate 1033.11
    diethyl carbonate 1641.69
    propanediol butyl ether 897.28
    triethyl orthoformate 1589.72
    p-tert-butyltoluene 548.7
    methyl 4-tert-butylbenzoate 982.74
    morpholine 8181.97
    tert-butylamine 3703.23
    n-dodecanol 431.34
    dimethoxymethane 4123.17
    ethylene carbonate 2282.42
    cyrene 681.49
    2-ethoxyethyl acetate 2773.8
    2-ethylhexyl acetate 3170.72
    1,2,4-trichlorobenzene 1688.77
    4-methylpyridine 3700.65
    dibutyl ether 2343.92
    2,6-dimethyl-4-heptanol 756.21
    DEF 4215.28
    dimethyl isosorbide 1655.74
    tetrachloroethylene 4283.72
    eugenol 890.22
    triacetin 1294.87
    span 80 855.49
    1,4-butanediol 593.95
    1,1-dichloroethane 7554.73
    2-methyl-1-pentanol 2055.0
    methyl formate 1488.09
    2-methyl-1-butanol 3062.77
    n-decane 242.2
    butyronitrile 5398.36
    3,7-dimethyl-1-octanol 927.66
    1-chlorooctane 924.72
    1-chlorotetradecane 325.41
    n-nonane 262.33
    undecane 166.44
    tert-butylcyclohexane 415.44
    cyclooctane 381.41
    cyclopentanol 1705.69
    tetrahydropyran 9307.71
    tert-amyl methyl ether 4467.23
    2,5,8-trioxanonane 1806.17
    1-hexene 2465.66
    2-isopropoxyethanol 2090.63
    2,2,2-trifluoroethanol 500.79
    methyl butyrate 4077.2

    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