Butyl 2,4-dihydroxybenzoate

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  • Identifiers

    CAS number
    37622-42-7

    Molecular formula
    C11H14O4

    SMILES
    CCCCOC(=O)C1=C(C=C(C=C1)O)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 60.89%
    Phenolic 49.97%
    Balsamic 47.28%
    Floral 44.02%
    Herbal 41.58%
    Green 39.2%
    Woody 38.53%
    Spicy 35.29%
    Vanilla 32.14%
    Fruity 32.11%

     

    Flavor
    Bitter 49.82%
    Odorless 29.01%
    Mild 24.98%
    Bland 24.68%
    Herbal 24.27%
    Ethyl benzoate 23.55%
    Woody 23.24%
    Faint 22.37%
    Wintergreen 22.34%
    Lovage 22.28%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    8.19 (weak base)

    Molecular weight
    210.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    334°C

    Flash point

    • 161.43 ˚C est.

  • Synonyms

    • Butyl 2,4-dihydroxybenzoate
    • 37622-42-7
    • Benzoic acid, 2,4-dihydroxy-, butyl ester
    • SCHEMBL9617126
    • DTXSID10191059
    • 37622-42-7

  • Applications

    Butyl 2,4-dihydroxybenzoate (CAS 37622-42-7) is used primarily as a synthetic intermediate and a functional additive in formulations. In industry it is commonly employed as a stabilizer or antioxidant in polymer, coating, and adhesive systems to slow oxidation and color change. In perfumery and cosmetics it can act as an odor-active constituent and fragrance fixative, contributing to scent longevity. It also serves as a precursor for the synthesis of other dihydroxybenzoate esters and related compounds used in dyes and pigments. In specialty formulations it may be evaluated as a preservative or antimicrobial-supporting ingredient under applicable regulatory limits. Additionally, it can function as a processing aid in coatings and inks, improving formulation stability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1720.97
    methanol 2196.75
    isopropanol 1074.64
    water 0.21
    ethyl acetate 620.28
    n-propanol 1083.1
    acetone 2316.81
    n-butanol 776.96
    acetonitrile 651.14
    DMF 4624.71
    toluene 27.2
    isobutanol 594.29
    1,4-dioxane 639.12
    methyl acetate 637.16
    THF 2430.13
    2-butanone 850.71
    n-pentanol 348.9
    sec-butanol 625.15
    n-hexane 1.66
    ethylene glycol 472.55
    NMP 1865.22
    cyclohexane 2.49
    DMSO 7650.98
    n-butyl acetate 262.39
    n-octanol 76.78
    chloroform 151.56
    n-propyl acetate 274.87
    acetic acid 1359.42
    dichloromethane 174.9
    cyclohexanone 780.0
    propylene glycol 1138.45
    isopropyl acetate 337.23
    DMAc 1701.88
    2-ethoxyethanol 707.45
    isopentanol 518.01
    n-heptane 1.11
    ethyl formate 363.8
    1,2-dichloroethane 284.25
    n-hexanol 198.88
    2-methoxyethanol 2608.34
    isobutyl acetate 149.92
    tetrachloromethane 11.17
    n-pentyl acetate 107.52
    transcutol 1776.15
    n-heptanol 75.52
    ethylbenzene 16.19
    MIBK 354.02
    2-propoxyethanol 622.54
    tert-butanol 1177.05
    MTBE 300.3
    2-butoxyethanol 245.66
    propionic acid 720.94
    o-xylene 21.48
    formic acid 505.68
    diethyl ether 193.9
    m-xylene 31.88
    p-xylene 24.07
    chlorobenzene 70.18
    dimethyl carbonate 319.16
    n-octane 0.65
    formamide 1305.45
    cyclopentanone 1643.09
    2-pentanone 764.94
    anisole 128.81
    cyclopentyl methyl ether 431.64
    gamma-butyrolactone 1893.26
    1-methoxy-2-propanol 1861.16
    pyridine 306.57
    3-pentanone 282.87
    furfural 806.87
    n-dodecane 1.52
    diethylene glycol 720.8
    diisopropyl ether 47.15
    tert-amyl alcohol 621.06
    acetylacetone 977.81
    n-hexadecane 1.81
    acetophenone 178.58
    methyl propionate 603.25
    isopentyl acetate 227.98
    trichloroethylene 509.41
    n-nonanol 67.62
    cyclohexanol 365.74
    benzyl alcohol 187.48
    2-ethylhexanol 81.63
    isooctanol 64.9
    dipropyl ether 59.86
    1,2-dichlorobenzene 71.37
    ethyl lactate 197.74
    propylene carbonate 677.26
    n-methylformamide 1746.72
    2-pentanol 349.52
    n-pentane 1.54
    1-propoxy-2-propanol 388.1
    1-methoxy-2-propyl acetate 369.98
    2-(2-methoxypropoxy) propanol 296.83
    mesitylene 22.14
    ε-caprolactone 648.95
    p-cymene 18.53
    epichlorohydrin 1680.23
    1,1,1-trichloroethane 146.11
    2-aminoethanol 1056.41
    morpholine-4-carbaldehyde 1261.4
    sulfolane 2574.39
    2,2,4-trimethylpentane 3.28
    2-methyltetrahydrofuran 914.58
    n-hexyl acetate 176.51
    isooctane 3.61
    2-(2-butoxyethoxy)ethanol 458.63
    sec-butyl acetate 159.03
    tert-butyl acetate 398.92
    decalin 3.21
    glycerin 1167.01
    diglyme 757.6
    acrylic acid 602.71
    isopropyl myristate 64.63
    n-butyric acid 883.33
    acetyl acetate 301.83
    di(2-ethylhexyl) phthalate 72.54
    ethyl propionate 218.24
    nitromethane 2573.22
    1,2-diethoxyethane 225.51
    benzonitrile 180.24
    trioctyl phosphate 61.28
    1-bromopropane 66.69
    gamma-valerolactone 1717.64
    n-decanol 51.19
    triethyl phosphate 75.67
    4-methyl-2-pentanol 166.82
    propionitrile 325.59
    vinylene carbonate 446.38
    1,1,2-trichlorotrifluoroethane 887.11
    DMS 208.85
    cumene 15.85
    2-octanol 48.89
    2-hexanone 284.66
    octyl acetate 91.47
    limonene 28.97
    1,2-dimethoxyethane 865.97
    ethyl orthosilicate 63.93
    tributyl phosphate 80.03
    diacetone alcohol 759.84
    N,N-dimethylaniline 76.22
    acrylonitrile 520.36
    aniline 154.31
    1,3-propanediol 1427.87
    bromobenzene 49.53
    dibromomethane 84.51
    1,1,2,2-tetrachloroethane 427.52
    2-methyl-cyclohexyl acetate 116.98
    tetrabutyl urea 109.27
    diisobutyl methanol 54.4
    2-phenylethanol 145.24
    styrene 22.5
    dioctyl adipate 121.34
    dimethyl sulfate 656.05
    ethyl butyrate 145.92
    methyl lactate 532.46
    butyl lactate 153.52
    diethyl carbonate 101.79
    propanediol butyl ether 354.62
    triethyl orthoformate 96.34
    p-tert-butyltoluene 21.38
    methyl 4-tert-butylbenzoate 159.76
    morpholine 1376.64
    tert-butylamine 286.94
    n-dodecanol 36.98
    dimethoxymethane 1378.33
    ethylene carbonate 374.36
    cyrene 282.15
    2-ethoxyethyl acetate 209.86
    2-ethylhexyl acetate 132.83
    1,2,4-trichlorobenzene 122.81
    4-methylpyridine 316.86
    dibutyl ether 61.42
    2,6-dimethyl-4-heptanol 54.4
    DEF 733.41
    dimethyl isosorbide 421.53
    tetrachloroethylene 157.59
    eugenol 169.42
    triacetin 205.32
    span 80 225.97
    1,4-butanediol 313.16
    1,1-dichloroethane 196.89
    2-methyl-1-pentanol 244.8
    methyl formate 1028.05
    2-methyl-1-butanol 432.25
    n-decane 2.04
    butyronitrile 358.24
    3,7-dimethyl-1-octanol 88.95
    1-chlorooctane 19.86
    1-chlorotetradecane 8.77
    n-nonane 1.51
    undecane 1.77
    tert-butylcyclohexane 3.69
    cyclooctane 0.93
    cyclopentanol 703.82
    tetrahydropyran 479.55
    tert-amyl methyl ether 185.65
    2,5,8-trioxanonane 491.52
    1-hexene 16.32
    2-isopropoxyethanol 375.86
    2,2,2-trifluoroethanol 285.35
    methyl butyrate 343.87

    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