Hexylresorcinol

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  • Identifiers

    CAS number
    136-77-6

    Molecular formula
    C12H18O2

    SMILES
    CCCCCCC1=C(C=C(C=C1)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 68.17%
    Spicy 52.07%
    Smoky 42.58%
    Medicinal 35.13%
    Burnt 34.78%
    Animal 32.51%
    Leathery 28.67%
    Balsamic 27.84%
    Woody 25.33%
    Odorless 24.38%

     

    Flavor
    Phenolic 47.69%
    Medicinal 36.42%
    Woody 31.84%
    Mild 30.92%
    Spice 29.43%
    Spicy 29.21%
    Herbal 26.8%
    Creosote 24.57%
    Thymol 24.07%
    Smoky 23.93%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    10.56 (weak base)

    Molecular weight
    194.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 154 to 156 °F (NTP, 1992)
    • 62 to 67 °C
    • 67.5-69 °C
    • 68 - 70 °C

    Boiling point

    • 631 °F at 760 mmHg (NTP, 1992)
    • 178-180 °C at 6.7 mm Hg; 198-100 °C at 13-14 mm HG; 333-335 °C at 760 mm Hg
    • 334.00 °C. @ 760.00 mm Hg

    Flash point

    • 156.69 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 73 °F (NTP, 1992)
    • Freely soluble in ether and acetone; very slightly soluble in water
    • Sol in ether, chloroform, acetone, alcohol; slightly sol in petroleum ether; sol in about 2000 parts water; sol in vegetable oils
    • Freely soluble in glycerol
    • Soluble in benzene.
    • In water, 500 mg/L at 18 °C
    • 0.5 mg/mL at 18 °C

  • Synonyms

    • hexylresorcinol
    • 4-Hexylresorcinol
    • 136-77-6
    • 4-hexylbenzene-1,3-diol
    • 4-Hexyl-1,3-benzenediol
    • p-Hexylresorcinol
    • 4-n-Hexylresorcinol
    • Antascarin
    • Ascaricid
    • Ascarinol
    • Oxana
    • Adrover
    • Caprokol
    • Hidesol
    • Crystoids
    • 1,3-Benzenediol, 4-hexyl-
    • Prensol
    • 4-Hexylresorcine
    • Sucrets
    • 4-Hexyl-1,3-dihydroxybenzene
    • Gelovermin
    • Hexylresorcin
    • Ascaryl
    • 4-(1-Hexyl)resorcinol
    • Cystoids anthelmintic
    • Mycoderm
    • 1,3-Dihydroxy-4-hexylbenzene
    • Worm-agen
    • Resorcinol, 4-hexyl-
    • 1,3-Dihydroxy-4-n-hexylbenzene
    • EverFresh
    • NCI-C55787
    • ST-37
    • S.T. 37
    • MFCD00002284
    • NSC 1570
    • R9QTB5E82N
    • INS NO.586
    • INS-586
    • NSC1570
    • 1-(2',4'-Dihydroxyphenyl)hexane
    • CHEMBL443605
    • DTXSID1020699
    • E-586
    • NCGC00091208-04
    • Hexylresorzin
    • Hexylresorcinolum
    • DTXCID10699
    • HEXYLRESORCINOL (MART.)
    • HEXYLRESORCINOL [MART.]
    • HEXYLRESORCINOL (USP-RS)
    • HEXYLRESORCINOL [USP-RS]
    • Hexylresorcin [German]
    • Kopnol
    • HEXYLRESORCINOL (EP IMPURITY)
    • HEXYLRESORCINOL [EP IMPURITY]
    • HEXYLRESORCINOL (EP MONOGRAPH)
    • HEXYLRESORCINOL [EP MONOGRAPH]
    • 4 Hexylresorcinol
    • HEXYLRESORCINOL (USP MONOGRAPH)
    • HEXYLRESORCINOL [USP MONOGRAPH]
    • 4-hexyl resorcinol
    • CAS-136-77-6
    • CCRIS 888
    • crystoids anthelmintic
    • HSDB 566
    • ST 37
    • EINECS 205-257-4
    • UNII-R9QTB5E82N
    • BRN 2048312
    • AI3-08055
    • KOM 14
    • Hexylresorcinol [USP:INN:BAN]
    • Myxcin-C
    • 4-Hexyl-benzenediol
    • Hexylresorcinol (USP)
    • Spectrum_000869
    • 1, 4-hexyl-
    • 4-Hexylresorcinol, 8CI
    • Spectrum2_000989
    • Spectrum3_000451
    • Spectrum4_000001
    • Spectrum5_000794
    • 4-Hexylresorcinol, 98%
    • Hexylresorcinol (Standard)
    • WLN: QR CQ D6
    • Hexylresorcinol, BAN, USAN
    • SCHEMBL29107
    • BSPBio_002122
    • KBioGR_000341
    • KBioSS_001349
    • 4-06-00-06048 (Beilstein Handbook Reference)
    • MLS002152930
    • DivK1c_000094
    • HEXYLRESORCINOL [HSDB]
    • SPECTRUM1500330
    • SPBio_001057
    • 4-HEXYLRESORCINOL [MI]
    • 1-(2,4-Dihydroxyphenyl)hexane
    • 4-Hexyl-1,3-dihydroxy benzene
    • 4-HEXYLRESORCINOL [FCC]
    • HEXYLRESORCINOL [WHO-DD]
    • BCBcMAP01_000093
    • CHEBI:93749
    • HMS500E16
    • HY-B0986R
    • KBio1_000094
    • KBio2_001349
    • KBio2_003917
    • KBio2_006485
    • KBio3_001342
    • NINDS_000094
    • 1, 3-Dihydroxy-4-n-hexylbenzene
    • HMS1920D09
    • HMS2091J15
    • HMS3885J08
    • Pharmakon1600-01500330
    • benzene, 4-hexyl-1,3-dihydroxy-
    • BCP31316
    • HY-B0986
    • NSC-1570
    • Tox21_111102
    • Tox21_202263
    • Tox21_300357
    • BBL023042
    • BDBM50292636
    • CCG-40207
    • NSC757056

  • Applications

    Hexylresorcinol (CAS 136-77-6) is used in cosmetics and personal care as an antimicrobial and preservative ingredient, and is often studied for skin-lightening effects due to its potential impact on pigment formation. In pharmaceutical contexts, it can function as a topical antiseptic component and may be present in oral care products as an antimicrobial additive. In the materials arena, hexylresorcinol is employed as an antioxidant/ stabilizer in polymers and plastics and can serve as a stabilizer for coatings and inks. Additionally, it is considered for cleaning and household care formulations as an antimicrobial additive, with usage limited by local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 18444.8
    methanol 16127.8
    isopropanol 11568.15
    water 0.07
    ethyl acetate 12045.24
    n-propanol 14376.89
    acetone 21824.31
    n-butanol 8548.54
    acetonitrile 9740.05
    DMF 12636.83
    toluene 707.61
    isobutanol 7942.09
    1,4-dioxane 7408.2
    methyl acetate 8240.74
    THF 13269.97
    2-butanone 11523.35
    n-pentanol 3842.09
    sec-butanol 6637.62
    n-hexane 183.15
    ethylene glycol 1026.71
    NMP 2924.71
    cyclohexane 149.41
    DMSO 16829.46
    n-butyl acetate 3475.58
    n-octanol 466.69
    chloroform 1921.85
    n-propyl acetate 3548.18
    acetic acid 3294.04
    dichloromethane 2155.48
    cyclohexanone 5746.73
    propylene glycol 2173.7
    isopropyl acetate 4865.14
    DMAc 4371.23
    2-ethoxyethanol 5034.91
    isopentanol 5190.4
    n-heptane 52.03
    ethyl formate 2718.26
    1,2-dichloroethane 3645.47
    n-hexanol 3147.29
    2-methoxyethanol 12582.27
    isobutyl acetate 1630.59
    tetrachloromethane 248.38
    n-pentyl acetate 924.93
    transcutol 8801.17
    n-heptanol 652.9
    ethylbenzene 269.23
    MIBK 3295.15
    2-propoxyethanol 5648.63
    tert-butanol 11794.08
    MTBE 11675.78
    2-butoxyethanol 1448.24
    propionic acid 4007.45
    o-xylene 275.78
    formic acid 712.11
    diethyl ether 11177.37
    m-xylene 496.72
    p-xylene 316.11
    chlorobenzene 794.03
    dimethyl carbonate 1561.69
    n-octane 21.32
    formamide 2741.23
    cyclopentanone 8246.22
    2-pentanone 9713.59
    anisole 1128.14
    cyclopentyl methyl ether 5136.5
    gamma-butyrolactone 7182.71
    1-methoxy-2-propanol 8540.53
    pyridine 3276.65
    3-pentanone 4706.82
    furfural 2209.45
    n-dodecane 19.64
    diethylene glycol 2575.83
    diisopropyl ether 1812.36
    tert-amyl alcohol 5930.85
    acetylacetone 5574.42
    n-hexadecane 23.79
    acetophenone 712.77
    methyl propionate 7406.12
    isopentyl acetate 2455.63
    trichloroethylene 3997.43
    n-nonanol 396.4
    cyclohexanol 2916.38
    benzyl alcohol 771.62
    2-ethylhexanol 924.21
    isooctanol 468.45
    dipropyl ether 2095.15
    1,2-dichlorobenzene 476.3
    ethyl lactate 673.4
    propylene carbonate 2179.49
    n-methylformamide 8586.62
    2-pentanol 4555.6
    n-pentane 140.74
    1-propoxy-2-propanol 3072.41
    1-methoxy-2-propyl acetate 2730.65
    2-(2-methoxypropoxy) propanol 867.04
    mesitylene 263.18
    ε-caprolactone 3759.44
    p-cymene 133.66
    epichlorohydrin 8298.41
    1,1,1-trichloroethane 2140.2
    2-aminoethanol 4173.02
    morpholine-4-carbaldehyde 3478.98
    sulfolane 5719.33
    2,2,4-trimethylpentane 78.54
    2-methyltetrahydrofuran 8948.34
    n-hexyl acetate 1239.63
    isooctane 92.56
    2-(2-butoxyethoxy)ethanol 1730.45
    sec-butyl acetate 1854.53
    tert-butyl acetate 4129.18
    decalin 69.15
    glycerin 1519.27
    diglyme 3272.58
    acrylic acid 1737.84
    isopropyl myristate 333.07
    n-butyric acid 6056.84
    acetyl acetate 2092.6
    di(2-ethylhexyl) phthalate 224.73
    ethyl propionate 2624.44
    nitromethane 8454.0
    1,2-diethoxyethane 3808.36
    benzonitrile 999.35
    trioctyl phosphate 214.92
    1-bromopropane 1930.06
    gamma-valerolactone 7301.26
    n-decanol 287.23
    triethyl phosphate 290.51
    4-methyl-2-pentanol 1489.82
    propionitrile 6122.87
    vinylene carbonate 1379.98
    1,1,2-trichlorotrifluoroethane 2460.07
    DMS 909.16
    cumene 162.15
    2-octanol 352.73
    2-hexanone 3761.72
    octyl acetate 441.28
    limonene 287.59
    1,2-dimethoxyethane 7276.96
    ethyl orthosilicate 309.13
    tributyl phosphate 286.98
    diacetone alcohol 3825.04
    N,N-dimethylaniline 419.0
    acrylonitrile 5310.16
    aniline 1550.2
    1,3-propanediol 5786.06
    bromobenzene 682.29
    dibromomethane 1389.42
    1,1,2,2-tetrachloroethane 3058.7
    2-methyl-cyclohexyl acetate 604.41
    tetrabutyl urea 331.46
    diisobutyl methanol 445.07
    2-phenylethanol 836.08
    styrene 401.71
    dioctyl adipate 432.47
    dimethyl sulfate 1565.48
    ethyl butyrate 1493.18
    methyl lactate 1512.5
    butyl lactate 637.32
    diethyl carbonate 654.81
    propanediol butyl ether 1085.27
    triethyl orthoformate 668.02
    p-tert-butyltoluene 155.57
    methyl 4-tert-butylbenzoate 463.58
    morpholine 12477.3
    tert-butylamine 5450.05
    n-dodecanol 207.41
    dimethoxymethane 9703.38
    ethylene carbonate 1591.65
    cyrene 558.62
    2-ethoxyethyl acetate 1524.06
    2-ethylhexyl acetate 1413.97
    1,2,4-trichlorobenzene 571.28
    4-methylpyridine 3150.82
    dibutyl ether 1096.7
    2,6-dimethyl-4-heptanol 445.07
    DEF 6233.49
    dimethyl isosorbide 1263.33
    tetrachloroethylene 1572.48
    eugenol 469.03
    triacetin 710.77
    span 80 683.07
    1,4-butanediol 1185.79
    1,1-dichloroethane 3912.85
    2-methyl-1-pentanol 2133.19
    methyl formate 3522.7
    2-methyl-1-butanol 4462.31
    n-decane 35.48
    butyronitrile 5800.71
    3,7-dimethyl-1-octanol 532.96
    1-chlorooctane 253.2
    1-chlorotetradecane 81.05
    n-nonane 34.07
    undecane 26.21
    tert-butylcyclohexane 85.79
    cyclooctane 40.63
    cyclopentanol 3857.87
    tetrahydropyran 10018.27
    tert-amyl methyl ether 3965.08
    2,5,8-trioxanonane 1547.47
    1-hexene 1303.9
    2-isopropoxyethanol 2747.11
    2,2,2-trifluoroethanol 530.15
    methyl butyrate 3537.94

    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