4-Hexanoylresorcinol

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  • Identifiers

    CAS number
    3144-54-5

    Molecular formula
    C12H16O3

    SMILES
    CCCCCC(=O)C1=C(C=C(C=C1)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 44.05%
    Spicy 42.29%
    Phenolic 42.1%
    Balsamic 33.26%
    Herbal 31.38%
    Fruity 30.87%
    Odorless 29.95%
    Vanilla 28.84%
    Woody 26.08%
    Animal 26.0%

     

    Flavor
    Bitter 50.02%
    Herbal 38.09%
    Odorless 29.76%
    Mild 25.6%
    Bland 23.45%
    Lovage 22.69%
    Phenolic 21.8%
    Cedarleaf 21.24%
    Woody 21.04%
    Outdoor 21.0%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    9.54 (weak base)

    Molecular weight
    208.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    352°C

    Flash point

    • 166.62 ˚C est.

  • Synonyms

    • 4-Hexanoylresorcinol
    • 3144-54-5
    • 1-(2,4-Dihydroxyphenyl)hexan-1-one
    • 2',4'-Dihydroxyhexanophenone
    • 1-Hexanone, 1-(2,4-dihydroxyphenyl)-
    • 1-(2,4-Dihydroxyphenyl)-1-hexanone
    • 4-caproylresorcinol
    • 4ZA8TZ29E2
    • EINECS 221-555-7
    • NSC-163332
    • DTXSID50871883
    • 2',4'-DIHYDROXYCAPROPHENONE
    • NSC 163332
    • HEXYLRESORCINOL IMPURITY D [EP IMPURITY]
    • HEXYLRESORCINOL IMPURITY D (EP IMPURITY)
    • RefChem:523588
    • DTXCID00819497
    • 221-555-7
    • 1-?(2,?4-?Dihydroxyphenyl)?-1-?hexanone
    • NSC163332
    • 4-n-hexanoylresorcinol
    • UNII-4ZA8TZ29E2
    • MLS000774909
    • Hexylresorcinol EP Impurity D
    • REGID_for_CID_76596
    • SCHEMBL1606859
    • CHEMBL1440045
    • CHEBI:108115
    • HMS1578K14
    • HMS2769M05
    • SBB068766
    • AKOS001030228
    • EBC-656429
    • 1-(2,4-Dihydroxyphenyl)-1-hexanone #
    • NCGC00245996-01
    • SMR000365571
    • CS-0297445
    • NS00006278
    • 144H545
    • AK-087/42718140
    • SR-01000025410
    • SR-01000025410-1
    • Q27186696
    • Z56758832
    • 3144-54-5

  • Applications

    4-Hexanoylresorcinol, CAS 3144-54-5, is primarily used as a fragrance-related ingredient: as an odorant and fragrance fixative in perfumery and other aroma products; in cosmetics and personal care, it may serve as a fragrance component; in consumer household and cleaning products, it can be added as a fragrance additive to shape the scent profile; in industrial manufacturing, it is commonly evaluated as an intermediate in the synthesis of fragrance compounds; and in polymer or coating formulations, it may be considered as a fragrance-related additive to impart or stabilize scents.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3341.4
    methanol 4028.88
    isopropanol 1979.26
    water 0.17
    ethyl acetate 1420.4
    n-propanol 2123.5
    acetone 4314.18
    n-butanol 1352.76
    acetonitrile 1564.39
    DMF 5969.09
    toluene 78.86
    isobutanol 1126.59
    1,4-dioxane 1233.84
    methyl acetate 1251.5
    THF 3771.37
    2-butanone 1521.49
    n-pentanol 565.97
    sec-butanol 920.61
    n-hexane 4.38
    ethylene glycol 566.83
    NMP 2080.8
    cyclohexane 6.66
    DMSO 9489.69
    n-butyl acetate 500.7
    n-octanol 104.05
    chloroform 293.04
    n-propyl acetate 480.89
    acetic acid 1434.19
    dichloromethane 336.43
    cyclohexanone 1397.67
    propylene glycol 1018.82
    isopropyl acetate 696.38
    DMAc 1886.01
    2-ethoxyethanol 1009.87
    isopentanol 895.06
    n-heptane 2.26
    ethyl formate 556.78
    1,2-dichloroethane 558.22
    n-hexanol 397.71
    2-methoxyethanol 3651.05
    isobutyl acetate 271.55
    tetrachloromethane 27.53
    n-pentyl acetate 187.18
    transcutol 2950.06
    n-heptanol 114.83
    ethylbenzene 36.29
    MIBK 600.38
    2-propoxyethanol 1036.4
    tert-butanol 1866.67
    MTBE 787.87
    2-butoxyethanol 349.86
    propionic acid 986.11
    o-xylene 48.28
    formic acid 491.27
    diethyl ether 662.48
    m-xylene 81.3
    p-xylene 50.21
    chlorobenzene 162.12
    dimethyl carbonate 479.28
    n-octane 1.26
    formamide 1511.43
    cyclopentanone 2568.88
    2-pentanone 1480.15
    anisole 235.04
    cyclopentyl methyl ether 890.39
    gamma-butyrolactone 2779.27
    1-methoxy-2-propanol 2504.9
    pyridine 627.42
    3-pentanone 602.2
    furfural 1011.87
    n-dodecane 2.42
    diethylene glycol 967.59
    diisopropyl ether 127.77
    tert-amyl alcohol 879.76
    acetylacetone 1550.63
    n-hexadecane 2.94
    acetophenone 242.43
    methyl propionate 1184.82
    isopentyl acetate 425.32
    trichloroethylene 888.28
    n-nonanol 92.84
    cyclohexanol 613.44
    benzyl alcohol 250.7
    2-ethylhexanol 137.97
    isooctanol 94.77
    dipropyl ether 148.29
    1,2-dichlorobenzene 131.17
    ethyl lactate 225.66
    propylene carbonate 881.33
    n-methylformamide 2532.37
    2-pentanol 593.07
    n-pentane 4.03
    1-propoxy-2-propanol 608.96
    1-methoxy-2-propyl acetate 588.81
    2-(2-methoxypropoxy) propanol 370.45
    mesitylene 49.71
    ε-caprolactone 1000.72
    p-cymene 31.93
    epichlorohydrin 2410.52
    1,1,1-trichloroethane 296.28
    2-aminoethanol 1434.95
    morpholine-4-carbaldehyde 1605.71
    sulfolane 2959.53
    2,2,4-trimethylpentane 6.37
    2-methyltetrahydrofuran 1734.15
    n-hexyl acetate 296.24
    isooctane 7.52
    2-(2-butoxyethoxy)ethanol 622.94
    sec-butyl acetate 273.18
    tert-butyl acetate 740.09
    decalin 6.77
    glycerin 1070.06
    diglyme 1091.12
    acrylic acid 729.52
    isopropyl myristate 97.89
    n-butyric acid 1340.74
    acetyl acetate 529.1
    di(2-ethylhexyl) phthalate 99.21
    ethyl propionate 372.69
    nitromethane 3209.36
    1,2-diethoxyethane 503.04
    benzonitrile 282.41
    trioctyl phosphate 81.58
    1-bromopropane 155.9
    gamma-valerolactone 2556.91
    n-decanol 69.28
    triethyl phosphate 98.58
    4-methyl-2-pentanol 254.6
    propionitrile 702.46
    vinylene carbonate 586.69
    1,1,2-trichlorotrifluoroethane 1073.48
    DMS 309.42
    cumene 30.46
    2-octanol 69.83
    2-hexanone 502.49
    octyl acetate 131.96
    limonene 52.88
    1,2-dimethoxyethane 1369.93
    ethyl orthosilicate 89.64
    tributyl phosphate 106.41
    diacetone alcohol 1048.89
    N,N-dimethylaniline 122.06
    acrylonitrile 894.94
    aniline 335.84
    1,3-propanediol 1817.33
    bromobenzene 118.93
    dibromomethane 172.23
    1,1,2,2-tetrachloroethane 678.78
    2-methyl-cyclohexyl acetate 173.63
    tetrabutyl urea 138.96
    diisobutyl methanol 85.88
    2-phenylethanol 220.01
    styrene 53.58
    dioctyl adipate 162.7
    dimethyl sulfate 798.1
    ethyl butyrate 246.46
    methyl lactate 598.61
    butyl lactate 204.91
    diethyl carbonate 152.78
    propanediol butyl ether 427.26
    triethyl orthoformate 149.11
    p-tert-butyltoluene 36.33
    methyl 4-tert-butylbenzoate 200.36
    morpholine 2537.57
    tert-butylamine 587.23
    n-dodecanol 50.27
    dimethoxymethane 2393.0
    ethylene carbonate 525.54
    cyrene 304.79
    2-ethoxyethyl acetate 361.21
    2-ethylhexyl acetate 250.06
    1,2,4-trichlorobenzene 196.99
    4-methylpyridine 647.96
    dibutyl ether 128.23
    2,6-dimethyl-4-heptanol 85.88
    DEF 1268.0
    dimethyl isosorbide 563.21
    tetrachloroethylene 293.2
    eugenol 210.06
    triacetin 278.69
    span 80 274.23
    1,4-butanediol 363.17
    1,1-dichloroethane 410.03
    2-methyl-1-pentanol 354.58
    methyl formate 1323.84
    2-methyl-1-butanol 702.8
    n-decane 3.58
    butyronitrile 746.52
    3,7-dimethyl-1-octanol 125.02
    1-chlorooctane 36.77
    1-chlorotetradecane 14.58
    n-nonane 2.85
    undecane 2.91
    tert-butylcyclohexane 7.96
    cyclooctane 2.11
    cyclopentanol 1022.75
    tetrahydropyran 1208.48
    tert-amyl methyl ether 365.25
    2,5,8-trioxanonane 654.77
    1-hexene 49.66
    2-isopropoxyethanol 534.66
    2,2,2-trifluoroethanol 299.16
    methyl butyrate 541.39

    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