Isopropylparaben

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  • Identifiers

    CAS number
    4191-73-5

    Molecular formula
    C10H12O3

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 52.72%
    Sweet 51.77%
    Herbal 43.17%
    Fruity 39.01%
    Balsamic 36.5%
    Animal 32.72%
    Aromatic 32.26%
    Spicy 32.25%
    Vanilla 31.56%
    Medicinal 31.39%

     

    Flavor
    Sweet 59.93%
    Fruity 54.09%
    Bitter 46.43%
    Floral 44.98%
    Herbal 37.16%
    Powdery 34.68%
    Grape 31.79%
    Wintergreen 31.51%
    Balsam 27.16%
    Tobacco 25.34%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    8.73 (weak base)

    Molecular weight
    180.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    309°C

    Flash point

    • 130.68 ˚C est.

  • Synonyms

    • Isopropyl 4-hydroxybenzoate
    • Isopropylparaben
    • 4191-73-5
    • Isopropyl p-hydroxybenzoate
    • p-Hydroxybenzoic acid isopropyl ester
    • Benzoic acid, 4-hydroxy-, 1-methylethyl ester
    • 1-Methylethyl-4-hydroxybenzoate
    • A6EOX47QK0
    • DTXSID3052858
    • 4-Hydroxybenzoic acid, 1-methylethyl ester
    • i-Pr 4-OH-benzoate
    • RefChem:565998
    • DTXCID0031269
    • 224-069-3
    • isopropyl paraben
    • propan-2-yl 4-hydroxybenzoate
    • MFCD00016468
    • 4-Hydroxybenzoic Acid Isopropyl Ester
    • p-Oxybenzoesaureisopropylester
    • Isopropyl-4-hydroxybenzoate
    • CHEMBL2333962
    • BENZOIC ACID, p-HYDROXY-, ISOPROPYL ESTER
    • Isopropylhydroxybenzoate
    • methylethyl 4-hydroxybenzoate
    • 1-Methylethyl 4-hydroxybenzoate
    • EINECS 224-069-3
    • UNII-A6EOX47QK0
    • p-Oxybenzoesaureisopropylester [German]
    • BRN 2641564
    • p-Hydroxybenzoic acid iso-propyl ester
    • SCHEMBL34494
    • SCHEMBL648846
    • orb1301584
    • orb3025432
    • SCHEMBL3024474
    • SCHEMBL9980893
    • MSK2539
    • CHEBI:179285
    • BDBM50428379
    • EBC-03564
    • SBB080171
    • STK345860
    • 4-Hydroxybenzoic acid-isopropyl ester
    • 4-hydroxy-benzoic acid isopropyl ester
    • AKOS000319522
    • ISOPROPYL PARA HYDROXY BENZOATE
    • CS-W017207
    • FI64885
    • HY-W016491
    • AC-15526
    • AC-34544
    • AS-11940
    • DA-74580
    • SY048526
    • H0494
    • I0817
    • NS00002618
    • ST45049913
    • EN300-31718
    • C20343
    • F242609
    • Q15426255
    • Z53833637
    • Isopropyl 4-hydroxybenzoate, analytical reference material
    • 4191-73-5

  • Applications

    Isopropylparaben is used primarily as a preservative due to its antimicrobial properties in cosmetics and personal care products to inhibit microbial growth; it also serves as a preservative in pharmaceutical formulations for topical and liquid dosage forms. In household products and consumer goods, it is employed as a preservative to extend shelf life. In industrial manufacturing, it can act as an intermediate in the synthesis of other parabens and related preservatives used in various formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 462.64
    methanol 523.06
    isopropanol 462.27
    water 0.67
    ethyl acetate 264.19
    n-propanol 322.74
    acetone 751.86
    n-butanol 290.07
    acetonitrile 301.43
    DMF 1163.81
    toluene 33.13
    isobutanol 231.34
    1,4-dioxane 458.14
    methyl acetate 309.67
    THF 827.32
    2-butanone 360.86
    n-pentanol 215.26
    sec-butanol 317.68
    n-hexane 9.32
    ethylene glycol 108.15
    NMP 683.18
    cyclohexane 6.09
    DMSO 1182.25
    n-butyl acetate 190.81
    n-octanol 134.83
    chloroform 303.73
    n-propyl acetate 185.62
    acetic acid 551.22
    dichloromethane 282.0
    cyclohexanone 390.29
    propylene glycol 247.46
    isopropyl acetate 154.16
    DMAc 665.07
    2-ethoxyethanol 288.26
    isopentanol 228.57
    n-heptane 5.87
    ethyl formate 191.34
    1,2-dichloroethane 204.89
    n-hexanol 180.36
    2-methoxyethanol 524.17
    isobutyl acetate 112.36
    tetrachloromethane 15.46
    n-pentyl acetate 117.13
    transcutol 858.31
    n-heptanol 92.89
    ethylbenzene 37.72
    MIBK 170.45
    2-propoxyethanol 297.8
    tert-butanol 547.15
    MTBE 249.9
    2-butoxyethanol 162.61
    propionic acid 306.83
    o-xylene 40.43
    formic acid 160.58
    diethyl ether 185.75
    m-xylene 43.41
    p-xylene 58.08
    chlorobenzene 90.34
    dimethyl carbonate 119.93
    n-octane 5.02
    formamide 279.62
    cyclopentanone 608.97
    2-pentanone 283.04
    anisole 162.62
    cyclopentyl methyl ether 214.12
    gamma-butyrolactone 682.0
    1-methoxy-2-propanol 447.31
    pyridine 187.54
    3-pentanone 165.97
    furfural 424.25
    n-dodecane 7.79
    diethylene glycol 266.7
    diisopropyl ether 51.5
    tert-amyl alcohol 370.92
    acetylacetone 360.02
    n-hexadecane 8.6
    acetophenone 169.94
    methyl propionate 224.52
    isopentyl acetate 163.65
    trichloroethylene 399.94
    n-nonanol 112.7
    cyclohexanol 193.55
    benzyl alcohol 146.62
    2-ethylhexanol 92.89
    isooctanol 78.54
    dipropyl ether 86.8
    1,2-dichlorobenzene 91.07
    ethyl lactate 127.11
    propylene carbonate 338.14
    n-methylformamide 376.95
    2-pentanol 214.68
    n-pentane 6.18
    1-propoxy-2-propanol 218.61
    1-methoxy-2-propyl acetate 191.68
    2-(2-methoxypropoxy) propanol 200.76
    mesitylene 33.82
    ε-caprolactone 315.86
    p-cymene 34.53
    epichlorohydrin 516.69
    1,1,1-trichloroethane 137.5
    2-aminoethanol 214.0
    morpholine-4-carbaldehyde 530.19
    sulfolane 814.42
    2,2,4-trimethylpentane 8.99
    2-methyltetrahydrofuran 406.7
    n-hexyl acetate 210.22
    isooctane 7.4
    2-(2-butoxyethoxy)ethanol 298.59
    sec-butyl acetate 113.64
    tert-butyl acetate 186.04
    decalin 10.36
    glycerin 284.83
    diglyme 422.91
    acrylic acid 271.52
    isopropyl myristate 80.99
    n-butyric acid 340.8
    acetyl acetate 163.89
    di(2-ethylhexyl) phthalate 76.74
    ethyl propionate 151.93
    nitromethane 807.26
    1,2-diethoxyethane 207.12
    benzonitrile 157.0
    trioctyl phosphate 64.3
    1-bromopropane 97.46
    gamma-valerolactone 588.66
    n-decanol 90.23
    triethyl phosphate 70.94
    4-methyl-2-pentanol 115.58
    propionitrile 184.98
    vinylene carbonate 278.9
    1,1,2-trichlorotrifluoroethane 322.36
    DMS 170.37
    cumene 37.68
    2-octanol 84.14
    2-hexanone 208.66
    octyl acetate 107.39
    limonene 50.83
    1,2-dimethoxyethane 449.68
    ethyl orthosilicate 64.68
    tributyl phosphate 80.83
    diacetone alcohol 294.67
    N,N-dimethylaniline 110.16
    acrylonitrile 247.47
    aniline 108.61
    1,3-propanediol 300.01
    bromobenzene 71.9
    dibromomethane 166.67
    1,1,2,2-tetrachloroethane 322.61
    2-methyl-cyclohexyl acetate 113.38
    tetrabutyl urea 105.07
    diisobutyl methanol 62.42
    2-phenylethanol 126.67
    styrene 47.31
    dioctyl adipate 117.21
    dimethyl sulfate 231.81
    ethyl butyrate 125.95
    methyl lactate 181.55
    butyl lactate 122.73
    diethyl carbonate 94.84
    propanediol butyl ether 246.96
    triethyl orthoformate 88.32
    p-tert-butyltoluene 35.97
    methyl 4-tert-butylbenzoate 152.86
    morpholine 515.64
    tert-butylamine 237.07
    n-dodecanol 68.55
    dimethoxymethane 395.23
    ethylene carbonate 220.4
    cyrene 193.85
    2-ethoxyethyl acetate 169.23
    2-ethylhexyl acetate 115.1
    1,2,4-trichlorobenzene 130.43
    4-methylpyridine 215.77
    dibutyl ether 123.8
    2,6-dimethyl-4-heptanol 62.42
    DEF 275.36
    dimethyl isosorbide 278.79
    tetrachloroethylene 145.51
    eugenol 152.23
    triacetin 203.14
    span 80 176.29
    1,4-butanediol 132.81
    1,1-dichloroethane 210.69
    2-methyl-1-pentanol 169.95
    methyl formate 325.69
    2-methyl-1-butanol 201.62
    n-decane 11.5
    butyronitrile 209.36
    3,7-dimethyl-1-octanol 115.46
    1-chlorooctane 62.3
    1-chlorotetradecane 26.59
    n-nonane 10.16
    undecane 9.33
    tert-butylcyclohexane 12.76
    cyclooctane 2.68
    cyclopentanol 250.07
    tetrahydropyran 315.18
    tert-amyl methyl ether 159.48
    2,5,8-trioxanonane 308.84
    1-hexene 59.86
    2-isopropoxyethanol 204.93
    2,2,2-trifluoroethanol 146.57
    methyl butyrate 213.19

    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