Isobutylparaben

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  • Identifiers

    CAS number
    4247-02-3

    Molecular formula
    C11H14O3

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 78.85%
    Balsamic 53.04%
    Floral 51.13%
    Herbal 48.19%
    Phenolic 47.97%
    Green 47.43%
    Woody 41.64%
    Vanilla 40.19%
    Spicy 36.26%
    Fruity 35.22%

     

    Flavor
    Sweet 44.73%
    Herbal 38.37%
    Bitter 35.74%
    Balsam 32.95%
    Fruity 32.12%
    Powdery 31.82%
    Wintergreen 28.4%
    Floral 27.97%
    Woody 26.83%
    Balsamic 23.81%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    8.54 (weak base)

    Molecular weight
    194.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    325°C

    Flash point

    • 133.42 ˚C est.

  • Synonyms

    • Isobutyl 4-hydroxybenzoate
    • Isobutylparaben
    • 4247-02-3
    • isobutyl paraben
    • Isobutyl p-hydroxybenzoate
    • Isobutyl-4-hydroxybenzoate
    • Isobutyl parahydroxybenzoate
    • Benzoic acid, 4-hydroxy-, 2-methylpropyl ester
    • DTXSID4020749
    • isobutyl-p-hydroxybenzoate
    • BENZOIC ACID, p-HYDROXY-, ISOBUTYL ESTER
    • 0QQJ25X58G
    • DTXCID20749
    • i-BHB
    • RefChem:923642
    • 224-208-8
    • 2-Methylpropyl 4-hydroxybenzoate
    • 4-Hydroxybenzoic Acid Isobutyl Ester
    • MFCD00020167
    • p-Hydroxybenzoic acid isobutyl ester
    • p-Oxybenzoesaureisobutylester
    • 4-Hydroxybenzoic acid-isobutyl ester
    • 2-Methylpropyl 4-Hydroxybenzoate (Isobutyl Parahydroxybenzoate)
    • 4-Hydroxybenzoic acid-isobutyl ester 1000 microg/mL in Acetonitrile
    • CCRIS 2463
    • EINECS 224-208-8
    • p-Hydroxybenzoic acid iso-butyl ester
    • 4-hydroxybenzoic acid iso-butyl ester
    • p-Oxybenzoesaureisobutylester [German]
    • BRN 2642305
    • 4-Hydroxybenzoic acid, 2-methylpropyl ester
    • ChemDiv2_000057
    • Isobutylparaben (Standard)
    • UNII-0QQJ25X58G
    • SCHEMBL34633
    • Methylpropyl p-hydroxybenzoate
    • BIDD:ER0110
    • orb1301600
    • orb3025442
    • CHEMBL3182006
    • MSK2513
    • CHEBI:178256
    • Isobutyl 4-hydroxybenzoate, 97%
    • HMS1369C13
    • HMS5088A03
    • Butyl parahydroxybenzoate impurity E
    • HY-W015026R
    • QYB46035
    • Tox21_200501
    • SBB080168
    • STL067196
    • ISOBUTYL PARA HYDROXY BENZOATE
    • p-Hydroxybenzoic acid sec-butyl ester
    • AKOS000319531
    • CS-W015742
    • FI70451
    • HY-W015026
    • Butyl parahydroxybenzoate impurity E CRS
    • NCGC00248662-01
    • NCGC00258055-01
    • AC-34543
    • AS-15247
    • DA-54401
    • CAS-4247-02-3
    • DB-070303
    • EU-0033430
    • H0493
    • I0816
    • NS00007256
    • ST45049845
    • Isobutylparaben(Discontinued,See C4X-25691)
    • C20342
    • 3-10-00-00308 (Beilstein Handbook Reference)
    • F150600
    • SR-01000389342
    • SR-01000389342-1
    • Q27237117
    • Butyl parahydroxybenzoate impurity E, European Pharmacopoeia (EP) Reference Standard
    • 2-Methylpropyl 4-Hydroxybenzoate; Butyl Parahydroxybenzoate Imp. E (EP); Isobutyl Parahydroxybenzoate; Butyl Parahydroxybenzoate Impurity E
    • 4247-02-3

  • Applications

    Isobutylparaben is commonly used as a preservative in cosmetics and personal care products (creams, shampoos, shower gels) to inhibit microbial growth; it is also applied in pharmaceutical formulations as a preservative to protect the stability of topical or externally used products; in addition, it appears in household cleaning products to maintain preservation and shelf life; it may serve as an intermediate in the synthesis of parabens and related preservative compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 817.9
    methanol 947.87
    isopropanol 589.04
    water 0.33
    ethyl acetate 388.52
    n-propanol 523.27
    acetone 627.11
    n-butanol 511.26
    acetonitrile 291.92
    DMF 1030.54
    toluene 90.69
    isobutanol 375.78
    1,4-dioxane 496.88
    methyl acetate 369.53
    THF 770.46
    2-butanone 492.72
    n-pentanol 344.87
    sec-butanol 488.45
    n-hexane 7.56
    ethylene glycol 119.3
    NMP 438.44
    cyclohexane 7.88
    DMSO 644.31
    n-butyl acetate 378.11
    n-octanol 129.39
    chloroform 382.76
    n-propyl acetate 266.82
    acetic acid 577.49
    dichloromethane 336.16
    cyclohexanone 432.51
    propylene glycol 235.19
    isopropyl acetate 249.92
    DMAc 690.82
    2-ethoxyethanol 455.76
    isopentanol 431.71
    n-heptane 4.3
    ethyl formate 262.72
    1,2-dichloroethane 291.3
    n-hexanol 305.96
    2-methoxyethanol 816.82
    isobutyl acetate 181.78
    tetrachloromethane 17.39
    n-pentyl acetate 137.06
    transcutol 1296.26
    n-heptanol 125.93
    ethylbenzene 67.4
    MIBK 257.57
    2-propoxyethanol 467.71
    tert-butanol 755.54
    MTBE 464.31
    2-butoxyethanol 243.28
    propionic acid 301.39
    o-xylene 69.53
    formic acid 207.25
    diethyl ether 309.67
    m-xylene 80.35
    p-xylene 87.11
    chlorobenzene 134.22
    dimethyl carbonate 114.81
    n-octane 2.95
    formamide 362.12
    cyclopentanone 504.69
    2-pentanone 420.65
    anisole 212.26
    cyclopentyl methyl ether 260.74
    gamma-butyrolactone 478.25
    1-methoxy-2-propanol 629.82
    pyridine 339.72
    3-pentanone 204.68
    furfural 430.24
    n-dodecane 4.34
    diethylene glycol 371.8
    diisopropyl ether 72.91
    tert-amyl alcohol 580.17
    acetylacetone 378.98
    n-hexadecane 4.89
    acetophenone 205.62
    methyl propionate 268.78
    isopentyl acetate 324.73
    trichloroethylene 602.68
    n-nonanol 104.46
    cyclohexanol 258.99
    benzyl alcohol 221.17
    2-ethylhexanol 146.23
    isooctanol 101.23
    dipropyl ether 101.67
    1,2-dichlorobenzene 118.92
    ethyl lactate 135.21
    propylene carbonate 295.13
    n-methylformamide 415.66
    2-pentanol 365.43
    n-pentane 6.48
    1-propoxy-2-propanol 333.24
    1-methoxy-2-propyl acetate 293.66
    2-(2-methoxypropoxy) propanol 236.25
    mesitylene 45.77
    ε-caprolactone 353.4
    p-cymene 43.11
    epichlorohydrin 598.26
    1,1,1-trichloroethane 158.73
    2-aminoethanol 315.04
    morpholine-4-carbaldehyde 498.43
    sulfolane 470.67
    2,2,4-trimethylpentane 10.08
    2-methyltetrahydrofuran 509.7
    n-hexyl acetate 214.58
    isooctane 8.25
    2-(2-butoxyethoxy)ethanol 361.91
    sec-butyl acetate 188.85
    tert-butyl acetate 280.84
    decalin 9.79
    glycerin 265.3
    diglyme 589.87
    acrylic acid 257.33
    isopropyl myristate 71.59
    n-butyric acid 471.48
    acetyl acetate 185.05
    di(2-ethylhexyl) phthalate 81.72
    ethyl propionate 182.74
    nitromethane 682.35
    1,2-diethoxyethane 276.18
    benzonitrile 208.56
    trioctyl phosphate 59.85
    1-bromopropane 137.54
    gamma-valerolactone 606.68
    n-decanol 75.12
    triethyl phosphate 75.39
    4-methyl-2-pentanol 195.73
    propionitrile 229.91
    vinylene carbonate 265.8
    1,1,2-trichlorotrifluoroethane 380.32
    DMS 158.73
    cumene 49.54
    2-octanol 82.25
    2-hexanone 288.43
    octyl acetate 99.25
    limonene 64.74
    1,2-dimethoxyethane 624.85
    ethyl orthosilicate 73.51
    tributyl phosphate 76.9
    diacetone alcohol 418.56
    N,N-dimethylaniline 128.2
    acrylonitrile 295.57
    aniline 179.88
    1,3-propanediol 470.56
    bromobenzene 112.0
    dibromomethane 199.21
    1,1,2,2-tetrachloroethane 457.51
    2-methyl-cyclohexyl acetate 142.77
    tetrabutyl urea 94.97
    diisobutyl methanol 80.38
    2-phenylethanol 193.9
    styrene 85.73
    dioctyl adipate 115.48
    dimethyl sulfate 158.85
    ethyl butyrate 188.17
    methyl lactate 177.8
    butyl lactate 142.02
    diethyl carbonate 119.7
    propanediol butyl ether 294.95
    triethyl orthoformate 115.18
    p-tert-butyltoluene 45.78
    methyl 4-tert-butylbenzoate 152.38
    morpholine 722.78
    tert-butylamine 333.58
    n-dodecanol 54.07
    dimethoxymethane 466.65
    ethylene carbonate 207.02
    cyrene 191.79
    2-ethoxyethyl acetate 216.54
    2-ethylhexyl acetate 213.53
    1,2,4-trichlorobenzene 155.79
    4-methylpyridine 395.42
    dibutyl ether 108.39
    2,6-dimethyl-4-heptanol 80.38
    DEF 400.43
    dimethyl isosorbide 291.96
    tetrachloroethylene 219.24
    eugenol 172.49
    triacetin 190.3
    span 80 183.28
    1,4-butanediol 172.45
    1,1-dichloroethane 259.63
    2-methyl-1-pentanol 312.85
    methyl formate 273.07
    2-methyl-1-butanol 369.71
    n-decane 6.29
    butyronitrile 315.02
    3,7-dimethyl-1-octanol 129.52
    1-chlorooctane 48.19
    1-chlorotetradecane 17.96
    n-nonane 5.25
    undecane 5.09
    tert-butylcyclohexane 11.93
    cyclooctane 2.97
    cyclopentanol 249.35
    tetrahydropyran 451.23
    tert-amyl methyl ether 293.63
    2,5,8-trioxanonane 376.7
    1-hexene 70.58
    2-isopropoxyethanol 325.44
    2,2,2-trifluoroethanol 127.14
    methyl butyrate 276.59

    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