Butylparaben Sodium

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  • Identifiers

    CAS number
    36457-20-2

    Molecular formula
    C11H13NaO3

    SMILES
    CCCCOC(=O)C1=CC=C(C=C1)[O-].[Na+]

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 64.66%
    Floral 58.58%
    Balsamic 46.79%
    Vanilla 41.87%
    Phenolic 39.92%
    Fruity 37.9%
    Aromatic 34.28%
    Herbal 33.69%
    Grape 32.17%
    Powdery 32.11%

     

    Flavor
    Balsam 51.43%
    Floral 48.63%
    Sweet 46.81%
    Fruity 40.07%
    Powdery 35.19%
    Wintergreen 33.04%
    Balsamic 32.02%
    Bitter 31.05%
    Herbal 29.43%
    Spicy 28.34%

     

    Odor impact est.
    High

  • Properties

    pKa est.
    6.26 (neutral)

    Molecular weight
    216.21 g/mol

    Flash point

    • 127.6 ˚C est.

  • Synonyms

    • 36457-20-2
    • Butylparaben sodium
    • Butyl 4-hydroxybenzoate sodium salt
    • Sodium butylparaben
    • Sodium butyl 4-hydroxybenzoate
    • Butyl p-hydroxybenzoate sodium
    • Sodium butyl hydroxybenzoate
    • Butyl-4-hydroxybenzoate sodium salt
    • EINECS 253-049-7
    • MAR76J77VS
    • BENZOIC ACID, p-HYDROXY-, BUTYL ESTER, SODIUM SALT
    • DTXSID10189971
    • BUTYL PARAHYDROXYBENZOATE SODIUM
    • SODIUM BUTYL HYDROXYBENZOATE [MART.]
    • P-HYDROXYBENZOIC ACID BUTYL ESTER SODIUM SALT
    • BENZOIC ACID, 4-HYDROXY-, BUTYL ESTER, SODIUM SALT (1:1)
    • SODIUM BUTYL HYDROXYBENZOATE (MART.)
    • RefChem:571867
    • DTXCID70112462
    • SODIUM BUTYLPARABEN [INCI]
    • Butylparaben sodium salt
    • sodium;4-butoxycarbonylphenolate
    • Sodium 4-(butoxycarbonyl)phenolate
    • Butylparaben (sodium)
    • MFCD01661516
    • UNII-MAR76J77VS
    • MSK2512Na
    • C11H13NaO3
    • SCHEMBL475966
    • orb1941967
    • HY-B1431A
    • OGBHACNFHJJTQT-UHFFFAOYSA-M
    • AKOS015915839
    • AS-14676
    • DA-57963
    • CS-0143584
    • E79252
    • Q27283785
    • Butyl 4-Hydroxybenzoate Sodium Salt; Butyl p-Hydroxybenzoate Sodium Salt; Nipabutyl Sodium; Sodium Butylparaben; p-Hydroxybenzoic Acid Butyl Ester Sodium Salt
    • 36457-20-2

  • Applications

    Butylparaben sodium (CAS 36457-20-2) is the water-soluble salt form of butylparaben and is primarily used as a preservative in aqueous formulations. In practice, it is used in cosmetics/personal care and pharmaceutical topical products to inhibit microbial growth; it may be employed in household cleaning products as an antimicrobial preservative; it can serve as an intermediate in the synthesis of parabens and may be incorporated as an additive in polymers, coatings, and inks where preservation or microbial control is desired; formulation scientists may evaluate it for use in other aqueous systems, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1499.48
    methanol 2586.47
    isopropanol 714.2
    water 0.25
    ethyl acetate 1687.16
    n-propanol 1055.92
    acetone 3308.88
    n-butanol 864.09
    acetonitrile 2264.24
    DMF 4036.07
    toluene 410.07
    isobutanol 643.95
    1,4-dioxane 1402.59
    methyl acetate 1596.87
    THF 1563.54
    2-butanone 1887.72
    n-pentanol 539.61
    sec-butanol 766.09
    n-hexane 14.88
    ethylene glycol 204.43
    NMP 1899.5
    cyclohexane 23.24
    DMSO 3558.79
    n-butyl acetate 907.36
    n-octanol 169.19
    chloroform 1760.94
    n-propyl acetate 883.35
    acetic acid 1888.96
    dichloromethane 2293.63
    cyclohexanone 1642.49
    propylene glycol 297.7
    isopropyl acetate 777.34
    DMAc 2051.26
    2-ethoxyethanol 962.32
    isopentanol 667.52
    n-heptane 6.41
    ethyl formate 772.28
    1,2-dichloroethane 2028.24
    n-hexanol 382.52
    2-methoxyethanol 1753.48
    isobutyl acetate 427.15
    tetrachloromethane 78.17
    n-pentyl acetate 385.75
    transcutol 4497.26
    n-heptanol 143.57
    ethylbenzene 211.28
    MIBK 646.85
    2-propoxyethanol 774.89
    tert-butanol 980.75
    MTBE 804.58
    2-butoxyethanol 382.91
    propionic acid 975.6
    o-xylene 223.8
    formic acid 571.11
    diethyl ether 983.25
    m-xylene 254.72
    p-xylene 260.16
    chlorobenzene 764.53
    dimethyl carbonate 462.14
    n-octane 4.56
    formamide 1627.35
    cyclopentanone 1963.41
    2-pentanone 1420.63
    anisole 673.98
    cyclopentyl methyl ether 737.06
    gamma-butyrolactone 2181.94
    1-methoxy-2-propanol 1203.79
    pyridine 1648.86
    3-pentanone 850.36
    furfural 1604.82
    n-dodecane 7.36
    diethylene glycol 620.59
    diisopropyl ether 181.17
    tert-amyl alcohol 836.42
    acetylacetone 1541.19
    n-hexadecane 9.05
    acetophenone 682.43
    methyl propionate 1234.2
    isopentyl acetate 681.27
    trichloroethylene 3528.49
    n-nonanol 152.93
    cyclohexanol 551.12
    benzyl alcohol 572.14
    2-ethylhexanol 206.64
    isooctanol 127.31
    dipropyl ether 202.46
    1,2-dichlorobenzene 584.43
    ethyl lactate 300.86
    propylene carbonate 949.44
    n-methylformamide 1896.98
    2-pentanol 536.71
    n-pentane 11.48
    1-propoxy-2-propanol 504.74
    1-methoxy-2-propyl acetate 668.91
    2-(2-methoxypropoxy) propanol 500.79
    mesitylene 127.43
    ε-caprolactone 1355.88
    p-cymene 90.73
    epichlorohydrin 2554.19
    1,1,1-trichloroethane 889.54
    2-aminoethanol 536.98
    morpholine-4-carbaldehyde 1703.41
    sulfolane 2075.11
    2,2,4-trimethylpentane 16.72
    2-methyltetrahydrofuran 1214.85
    n-hexyl acetate 567.99
    isooctane 13.02
    2-(2-butoxyethoxy)ethanol 788.65
    sec-butyl acetate 515.7
    tert-butyl acetate 735.39
    decalin 24.83
    glycerin 398.19
    diglyme 1427.96
    acrylic acid 932.87
    isopropyl myristate 177.09
    n-butyric acid 1171.43
    acetyl acetate 823.41
    di(2-ethylhexyl) phthalate 152.77
    ethyl propionate 649.44
    nitromethane 4400.22
    1,2-diethoxyethane 835.68
    benzonitrile 817.69
    trioctyl phosphate 109.5
    1-bromopropane 627.59
    gamma-valerolactone 2127.99
    n-decanol 113.05
    triethyl phosphate 168.2
    4-methyl-2-pentanol 254.38
    propionitrile 1015.35
    vinylene carbonate 956.89
    1,1,2-trichlorotrifluoroethane 1223.79
    DMS 564.29
    cumene 123.05
    2-octanol 111.89
    2-hexanone 849.32
    octyl acetate 234.72
    limonene 133.21
    1,2-dimethoxyethane 1416.54
    ethyl orthosilicate 152.52
    tributyl phosphate 171.15
    diacetone alcohol 890.26
    N,N-dimethylaniline 312.56
    acrylonitrile 1682.72
    aniline 696.02
    1,3-propanediol 810.79
    bromobenzene 727.98
    dibromomethane 1205.25
    1,1,2,2-tetrachloroethane 2291.45
    2-methyl-cyclohexyl acetate 291.5
    tetrabutyl urea 214.87
    diisobutyl methanol 120.42
    2-phenylethanol 404.52
    styrene 348.67
    dioctyl adipate 283.39
    dimethyl sulfate 715.08
    ethyl butyrate 466.92
    methyl lactate 469.17
    butyl lactate 303.1
    diethyl carbonate 326.62
    propanediol butyl ether 475.13
    triethyl orthoformate 245.15
    p-tert-butyltoluene 84.47
    methyl 4-tert-butylbenzoate 354.01
    morpholine 1967.4
    tert-butylamine 450.78
    n-dodecanol 81.57
    dimethoxymethane 1370.74
    ethylene carbonate 735.16
    cyrene 384.54
    2-ethoxyethyl acetate 677.07
    2-ethylhexyl acetate 456.78
    1,2,4-trichlorobenzene 720.56
    4-methylpyridine 1707.59
    dibutyl ether 260.95
    2,6-dimethyl-4-heptanol 120.42
    DEF 1573.5
    dimethyl isosorbide 648.07
    tetrachloroethylene 1147.13
    eugenol 376.5
    triacetin 550.89
    span 80 353.32
    1,4-butanediol 256.25
    1,1-dichloroethane 1491.92
    2-methyl-1-pentanol 477.18
    methyl formate 1208.22
    2-methyl-1-butanol 656.12
    n-decane 10.94
    butyronitrile 915.18
    3,7-dimethyl-1-octanol 203.09
    1-chlorooctane 96.25
    1-chlorotetradecane 39.25
    n-nonane 8.77
    undecane 8.86
    tert-butylcyclohexane 23.5
    cyclooctane 6.33
    cyclopentanol 522.19
    tetrahydropyran 1266.65
    tert-amyl methyl ether 539.18
    2,5,8-trioxanonane 881.45
    1-hexene 158.26
    2-isopropoxyethanol 616.29
    2,2,2-trifluoroethanol 447.74
    methyl butyrate 946.15

    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