Hexylparaben

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  • Identifiers

    CAS number
    1083-27-8

    Molecular formula
    C13H18O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 69.08%
    Balsamic 64.79%
    Sweet 61.74%
    Green 57.19%
    Herbal 54.65%
    Woody 41.67%
    Fruity 40.57%
    Spicy 40.08%
    Fresh 31.58%
    Aromatic 30.41%

     

    Flavor
    Herbal 47.9%
    Balsam 46.51%
    Woody 42.23%
    Floral 34.99%
    Spicy 32.96%
    Oily 28.34%
    Amber 26.56%
    Warm 26.25%
    Balsamic 23.76%
    Ethyl benzoate 23.66%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    8.13 (weak base)

    Molecular weight
    222.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    355°C

    Flash point

    • 154.68 ˚C est.

  • Synonyms

    • Hexyl 4-hydroxybenzoate
    • 1083-27-8
    • Hexylparaben
    • Hexyl p-hydroxybenzoate
    • Benzoic acid, 4-hydroxy-, hexyl ester
    • p-Hydroxybenzoic acid hexyl ester
    • 4-Hydroxybenzoic Acid Hexyl Ester
    • Hexyl 4-hydroxybenzoat
    • p-Oxybenzoesaurehexylester
    • p-Oxybenzoesaeurehexylester
    • 4-Hydroxybenzoesaeurehexylester
    • p-Oxybenzoesaurehexylester [German]
    • BRN 2723592
    • DTXSID1044514
    • BENZOIC ACID, p-HYDROXY-, HEXYL ESTER
    • 14Y8G9635E
    • DTXCID9024514
    • RefChem:788324
    • Benzoic acid, 4-hydroxy-, hexyl ester (9CI)
    • 679-688-5
    • 4-hydroxybenzoic acid n-hexyl ester
    • MFCD00016480
    • n-hexyl 4-hydroxybenzoate
    • CAS-1083-27-8
    • n-Hexyl-4-hydroxybenzoate
    • UNII-14Y8G9635E
    • n-hexyl-p-hydroxybenzoate
    • Hexyl -4-Hydroxybenzoate
    • n-Hexyl p-hydroxy benzoate
    • SCHEMBL374758
    • SCHEMBL5544000
    • CHEMBL2271366
    • Tox21_202266
    • Tox21_303422
    • AKOS016846151
    • FH70023
    • NCGC00249202-01
    • NCGC00257292-01
    • NCGC00259815-01
    • AS-44334
    • CS-0207336
    • H0213
    • ST51045376
    • A10845
    • AH-034/32462037
    • F330001
    • Q27251661
    • InChI=1/C13H18O3/c1-2-3-4-5-10-16-13(15)11-6-8-12(14)9-7-11/h6-9,14H,2-5,10H2,1H
    • 1083-27-8

  • Applications

    Hexylparaben (CAS 1083-27-8) is primarily used as a preservative in cosmetics and personal care products, inhibiting microbial growth in creams, lotions, shampoos, shower gels, and related formulations. It is also employed as a preservative in pharmaceutical topical products (creams, ointments, and other external-use solutions) and in some household cleaning products as a preservative for detergents and cleaning formulations. In fragrance and perfumery applications, hexyl paraben may be considered as a preservative or fragrance-supporting additive in certain fragrance preparations. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4678.67
    methanol 7600.62
    isopropanol 1787.16
    water 0.06
    ethyl acetate 3718.33
    n-propanol 2866.86
    acetone 5740.7
    n-butanol 1829.49
    acetonitrile 3395.13
    DMF 5260.31
    toluene 430.53
    isobutanol 1337.98
    1,4-dioxane 1846.6
    methyl acetate 2441.03
    THF 2880.23
    2-butanone 3039.06
    n-pentanol 866.52
    sec-butanol 1463.39
    n-hexane 18.02
    ethylene glycol 226.7
    NMP 2157.52
    cyclohexane 24.4
    DMSO 6318.15
    n-butyl acetate 1153.37
    n-octanol 149.36
    chloroform 1680.65
    n-propyl acetate 1161.14
    acetic acid 1676.73
    dichloromethane 2443.82
    cyclohexanone 2281.94
    propylene glycol 496.09
    isopropyl acetate 1428.25
    DMAc 2391.98
    2-ethoxyethanol 1534.41
    isopentanol 1162.45
    n-heptane 7.28
    ethyl formate 969.55
    1,2-dichloroethane 2530.17
    n-hexanol 556.25
    2-methoxyethanol 3538.22
    isobutyl acetate 576.31
    tetrachloromethane 96.89
    n-pentyl acetate 460.1
    transcutol 5401.86
    n-heptanol 172.45
    ethylbenzene 169.64
    MIBK 1030.96
    2-propoxyethanol 1248.44
    tert-butanol 1731.95
    MTBE 1845.58
    2-butoxyethanol 500.94
    propionic acid 1219.25
    o-xylene 204.79
    formic acid 490.14
    diethyl ether 2786.31
    m-xylene 253.35
    p-xylene 196.04
    chlorobenzene 654.02
    dimethyl carbonate 632.09
    n-octane 4.44
    formamide 1574.03
    cyclopentanone 3030.45
    2-pentanone 2821.18
    anisole 588.49
    cyclopentyl methyl ether 1399.75
    gamma-butyrolactone 2759.32
    1-methoxy-2-propanol 2343.39
    pyridine 1664.41
    3-pentanone 1457.54
    furfural 1502.34
    n-dodecane 6.33
    diethylene glycol 848.51
    diisopropyl ether 349.06
    tert-amyl alcohol 1307.01
    acetylacetone 2352.96
    n-hexadecane 7.61
    acetophenone 570.28
    methyl propionate 2337.28
    isopentyl acetate 896.2
    trichloroethylene 3437.07
    n-nonanol 138.98
    cyclohexanol 804.35
    benzyl alcohol 491.63
    2-ethylhexanol 245.58
    isooctanol 152.46
    dipropyl ether 330.2
    1,2-dichlorobenzene 489.6
    ethyl lactate 334.12
    propylene carbonate 1092.48
    n-methylformamide 2726.25
    2-pentanol 1026.22
    n-pentane 15.83
    1-propoxy-2-propanol 820.33
    1-methoxy-2-propyl acetate 966.6
    2-(2-methoxypropoxy) propanol 526.45
    mesitylene 135.84
    ε-caprolactone 1650.68
    p-cymene 84.59
    epichlorohydrin 3547.24
    1,1,1-trichloroethane 1030.61
    2-aminoethanol 944.01
    morpholine-4-carbaldehyde 1802.34
    sulfolane 2702.16
    2,2,4-trimethylpentane 20.68
    2-methyltetrahydrofuran 2228.37
    n-hexyl acetate 573.6
    isooctane 17.81
    2-(2-butoxyethoxy)ethanol 872.5
    sec-butyl acetate 715.63
    tert-butyl acetate 1212.12
    decalin 23.99
    glycerin 505.77
    diglyme 1660.3
    acrylic acid 834.52
    isopropyl myristate 182.84
    n-butyric acid 1967.27
    acetyl acetate 1045.45
    di(2-ethylhexyl) phthalate 157.92
    ethyl propionate 850.89
    nitromethane 4491.77
    1,2-diethoxyethane 1287.47
    benzonitrile 646.77
    trioctyl phosphate 110.91
    1-bromopropane 971.78
    gamma-valerolactone 2761.33
    n-decanol 102.9
    triethyl phosphate 187.56
    4-methyl-2-pentanol 364.28
    propionitrile 1506.46
    vinylene carbonate 910.15
    1,1,2-trichlorotrifluoroethane 1348.62
    DMS 594.04
    cumene 104.39
    2-octanol 115.61
    2-hexanone 1054.9
    octyl acetate 233.11
    limonene 140.07
    1,2-dimethoxyethane 1923.78
    ethyl orthosilicate 175.22
    tributyl phosphate 171.83
    diacetone alcohol 1239.88
    N,N-dimethylaniline 280.1
    acrylonitrile 1919.8
    aniline 720.86
    1,3-propanediol 1340.66
    bromobenzene 652.74
    dibromomethane 1367.54
    1,1,2,2-tetrachloroethane 2409.79
    2-methyl-cyclohexyl acetate 341.72
    tetrabutyl urea 213.17
    diisobutyl methanol 138.69
    2-phenylethanol 393.68
    styrene 269.37
    dioctyl adipate 283.6
    dimethyl sulfate 922.49
    ethyl butyrate 555.16
    methyl lactate 648.64
    butyl lactate 352.3
    diethyl carbonate 348.68
    propanediol butyl ether 507.42
    triethyl orthoformate 297.5
    p-tert-butyltoluene 84.82
    methyl 4-tert-butylbenzoate 339.24
    morpholine 3166.3
    tert-butylamine 723.39
    n-dodecanol 73.48
    dimethoxymethane 2855.17
    ethylene carbonate 771.92
    cyrene 398.38
    2-ethoxyethyl acetate 828.01
    2-ethylhexyl acetate 582.75
    1,2,4-trichlorobenzene 603.47
    4-methylpyridine 1736.36
    dibutyl ether 297.59
    2,6-dimethyl-4-heptanol 138.69
    DEF 2641.21
    dimethyl isosorbide 766.28
    tetrachloroethylene 1139.64
    eugenol 350.07
    triacetin 535.73
    span 80 381.63
    1,4-butanediol 349.74
    1,1-dichloroethane 1915.92
    2-methyl-1-pentanol 619.43
    methyl formate 1296.21
    2-methyl-1-butanol 1095.8
    n-decane 9.72
    butyronitrile 1507.98
    3,7-dimethyl-1-octanol 200.87
    1-chlorooctane 92.2
    1-chlorotetradecane 34.56
    n-nonane 8.01
    undecane 7.63
    tert-butylcyclohexane 24.01
    cyclooctane 7.07
    cyclopentanol 850.06
    tetrahydropyran 2234.58
    tert-amyl methyl ether 978.91
    2,5,8-trioxanonane 930.03
    1-hexene 216.42
    2-isopropoxyethanol 886.65
    2,2,2-trifluoroethanol 325.14
    methyl butyrate 1252.68

    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