Methylparaben

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  • Identifiers

    CAS number
    99-76-3

    Molecular formula
    C8H8O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 70.0%
    Sweet 45.8%
    Medicinal 41.88%
    Vanilla 38.93%
    Aromatic 38.24%
    Odorless 35.34%
    Nutty 32.59%
    Spicy 31.68%
    Animal 31.41%
    Smoky 31.0%

     

    Flavor
    Sweet 42.91%
    Balsam 41.61%
    Wintergreen 39.96%
    Herbal 36.75%
    Bitter 35.15%
    Phenolic 32.99%
    Powdery 32.42%
    Faint 30.93%
    Balsamic 28.95%
    Tobacco 28.42%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    7.79 (neutral)

    Molecular weight
    152.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • ofp-hydroxybenzoic acid derived from the sample is 213 °C to 217 °C after drying for two hours at 80 °C
    • 125.2 °C
    • 131 °C

    Boiling point

    • 270.5 °C (decomposes)
    • 275.00 °C. @ 760.00 mm Hg

    Flash point

    • 121.53 ˚C est.

    Solubility expt.

    • In water, 2.50X10+3 mg/L at 25 °C
    • Solubility in water (w/w): 0.25% at 20 °C; 0.30% at 25 °C
    • Solubilities in various solvents[Table#2967]
    • Slightyl soluble in water; very soluble in ethanol, ether, acetone; soluble in trfluoroacetic acid
    • For more Solubility (Complete) data for METHYLPARABEN (6 total), please visit the HSDB record page.
    • 2.5 mg/mL at 25 °C

  • Synonyms

    • Methyl 4-hydroxybenzoate
    • METHYLPARABEN
    • 99-76-3
    • Methyl paraben
    • Methyl p-hydroxybenzoate
    • Nipagin
    • Tegosept M
    • Moldex
    • Methyl parahydroxybenzoate
    • Maseptol
    • p-Hydroxybenzoic acid methyl ester
    • Preserval M
    • Preserval
    • Metaben
    • Methaben
    • Metoxyde
    • Paridol
    • Solbrol
    • Septos
    • Methyl parasept
    • 4-Hydroxybenzoic acid methyl ester
    • Methyl butex
    • Methyl chemosept
    • p-Methoxycarbonylphenol
    • p-Carbomethoxyphenol
    • Nipagin M
    • Methylben
    • Abiol
    • Benzoic acid, 4-hydroxy-, methyl ester
    • Solbrol M
    • Aseptoform
    • Methyl p-oxybenzoate
    • Methyl-p-hydroxybenzoate
    • 4-(Methoxycarbonyl)phenol
    • FEMA No. 2710
    • p-Hydroxybenzoic methyl ester
    • p-Oxybenzoesauremethylester
    • Methyl ester of p-hydroxybenzoic acid
    • Killitol
    • Benzoic acid, p-hydroxy-, methyl ester
    • Methylparaben e218
    • Methyl paraben (e218)
    • NSC-3827
    • A2I8C7HI9T
    • Methylester kyseliny p-hydroxybenzoove
    • NSC-406127
    • INS NO.218
    • DTXSID4022529
    • Methylis hydroxybenzoas
    • INS-218
    • DTXCID402529
    • E-218
    • CHEBI:31835
    • NSC3827
    • E218
    • RefChem:6467
    • isLeaf Tattoo Eyebrow Brown
    • isLeaf Long Lasting Waterproof Eyeliner Black
    • isLeaf Long Lasting Waterproof Eyeliner Brown
    • 202-785-7
    • MFCD00002352
    • 4-Hydroxybenzoic acid, methyl ester
    • methyl-4-hydroxybenzoate
    • methyl 4- hydroxybenzoate
    • NSC 3827
    • p-Hydroxybenzoic acid, methyl ester
    • 4-HYDROXY-BENZOIC ACID METHYL ESTER
    • CHEMBL325372
    • 4-Hydroxybenzoic acid-methyl ester
    • NCGC00159376-02
    • NCGC00159376-04
    • WLN: QR DVO1
    • Methylparaben [USAN]
    • Metagin
    • Caswell No. 573PP
    • FEMA Number 2710
    • 4-Hydroxybenzoic acid-methyl ester 1000 microg/mL in Acetonitrile
    • CAS-99-76-3
    • SMR000036660
    • Methyl 4-?Hydroxybenzoate(Methyl Paraben)
    • CCRIS 3946
    • HSDB 1184
    • p-Oxybenzoesauremethylester [German]
    • EINECS 202-785-7
    • Methylparaben [USAN:NF]
    • UNII-A2I8C7HI9T
    • EPA Pesticide Chemical Code 061201
    • BRN 0509801
    • METHYL4-HYDROXYBENZOATE
    • AI3-01336
    • Lexgard M
    • Paraben M
    • Methylester kyseliny p-hydroxybenzoove [Czech]
    • (Methyl Paraben)
    • Methylparaben, NF
    • Methylparaben, FCC
    • 4-carbomethoxyphenol
    • Methylparaben (NF)
    • INS number 218
    • NIPAGIN PLAIN
    • Solparol (Salt/Mix)
    • methyl 4-hydoxybenzoate
    • Nifuroxazide Impurity 2
    • methyl 4 hydroxybenzoate
    • methyl 4-hydroxylbenzoate
    • methyl 4-hydroxy-benzoate
    • methyl-4-hydroxy-benzoate
    • Methyl 4-?Hydroxybenzoate
    • Methyl paraben (Standard)
    • METHYLPARABEN [II]
    • METHYLPARABEN [MI]
    • Preserval MS (Salt/Mix)
    • bmse010009
    • EC 202-785-7
    • methyl (4-hydroxy)benzoate
    • METHYLPARABEN [FCC]
    • cid_7456
    • SCHEMBL4440
    • METHYLPARABEN [HSDB]
    • Methyl Parahydroxybenzoate RS
    • METHYLPARABEN [VANDF]
    • MLS001304047
    • MLS001304187
    • BIDD:ER0241
    • Methyl parahydroxybenzoate CRS
    • SCHEMBL646523
    • 4-hydroxybenzoate methyl ester
    • Methyl 4-hydroxybenzoate

  • Applications

    Methylparaben (CAS 99-76-3) is primarily used as a preservative in cosmetics and personal care products (lotions, creams, shampoos, makeup), in pharmaceutical formulations (topical or semi-solid dosage forms) to inhibit microbial growth, and in certain household and cleaning products to extend shelf life; it is also employed as a preservative in water-based coatings, inks, and adhesives in industrial settings. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 411.86
    methanol 331.73
    isopropanol 382.42
    water 5.46
    ethyl acetate 157.45
    n-propanol 295.06
    acetone 596.77
    n-butanol 186.89
    acetonitrile 169.5
    DMF 1395.41
    toluene 27.85
    isobutanol 153.79
    1,4-dioxane 313.53
    methyl acetate 232.69
    THF 724.03
    2-butanone 320.09
    n-pentanol 130.96
    sec-butanol 256.35
    n-hexane 4.84
    ethylene glycol 127.24
    NMP 953.76
    cyclohexane 3.42
    DMSO 1794.2
    n-butyl acetate 102.8
    n-octanol 42.48
    chloroform 86.42
    n-propyl acetate 129.17
    acetic acid 343.69
    dichloromethane 138.36
    cyclohexanone 248.28
    propylene glycol 143.71
    isopropyl acetate 105.68
    DMAc 717.47
    2-ethoxyethanol 390.53
    isopentanol 138.21
    n-heptane 3.16
    ethyl formate 131.17
    1,2-dichloroethane 152.37
    n-hexanol 81.94
    2-methoxyethanol 530.52
    isobutyl acetate 54.21
    tetrachloromethane 22.05
    n-pentyl acetate 65.73
    transcutol 1031.41
    n-heptanol 41.6
    ethylbenzene 25.8
    MIBK 130.03
    2-propoxyethanol 215.09
    tert-butanol 374.95
    MTBE 225.99
    2-butoxyethanol 121.95
    propionic acid 221.6
    o-xylene 35.41
    formic acid 323.01
    diethyl ether 200.85
    m-xylene 30.33
    p-xylene 29.21
    chlorobenzene 54.47
    dimethyl carbonate 147.33
    n-octane 1.19
    formamide 873.76
    cyclopentanone 519.4
    2-pentanone 233.35
    anisole 163.95
    cyclopentyl methyl ether 210.09
    gamma-butyrolactone 628.08
    1-methoxy-2-propanol 422.85
    pyridine 181.89
    3-pentanone 142.08
    furfural 495.45
    n-dodecane 1.08
    diethylene glycol 231.56
    diisopropyl ether 46.19
    tert-amyl alcohol 290.73
    acetylacetone 288.39
    n-hexadecane 1.3
    acetophenone 158.71
    methyl propionate 191.15
    isopentyl acetate 92.07
    trichloroethylene 264.79
    n-nonanol 37.26
    cyclohexanol 101.06
    benzyl alcohol 128.17
    2-ethylhexanol 43.71
    isooctanol 34.65
    dipropyl ether 52.5
    1,2-dichlorobenzene 66.39
    ethyl lactate 101.25
    propylene carbonate 233.08
    n-methylformamide 601.98
    2-pentanol 147.43
    n-pentane 5.05
    1-propoxy-2-propanol 147.43
    1-methoxy-2-propyl acetate 158.22
    2-(2-methoxypropoxy) propanol 174.63
    mesitylene 22.12
    ε-caprolactone 231.45
    p-cymene 20.25
    epichlorohydrin 562.78
    1,1,1-trichloroethane 83.81
    2-aminoethanol 218.93
    morpholine-4-carbaldehyde 629.0
    sulfolane 886.56
    2,2,4-trimethylpentane 5.99
    2-methyltetrahydrofuran 396.56
    n-hexyl acetate 100.93
    isooctane 3.83
    2-(2-butoxyethoxy)ethanol 233.19
    sec-butyl acetate 77.44
    tert-butyl acetate 163.51
    decalin 4.28
    glycerin 220.68
    diglyme 448.0
    acrylic acid 261.38
    isopropyl myristate 35.58
    n-butyric acid 165.14
    acetyl acetate 96.05
    di(2-ethylhexyl) phthalate 41.95
    ethyl propionate 103.23
    nitromethane 873.13
    1,2-diethoxyethane 161.83
    benzonitrile 101.17
    trioctyl phosphate 30.26
    1-bromopropane 54.14
    gamma-valerolactone 533.18
    n-decanol 25.76
    triethyl phosphate 50.62
    4-methyl-2-pentanol 63.89
    propionitrile 113.44
    vinylene carbonate 181.71
    1,1,2-trichlorotrifluoroethane 359.72
    DMS 122.88
    cumene 21.64
    2-octanol 28.73
    2-hexanone 148.21
    octyl acetate 49.62
    limonene 29.62
    1,2-dimethoxyethane 425.09
    ethyl orthosilicate 44.43
    tributyl phosphate 40.94
    diacetone alcohol 259.8
    N,N-dimethylaniline 110.7
    acrylonitrile 190.34
    aniline 106.34
    1,3-propanediol 266.25
    bromobenzene 37.82
    dibromomethane 71.87
    1,1,2,2-tetrachloroethane 183.13
    2-methyl-cyclohexyl acetate 72.28
    tetrabutyl urea 58.91
    diisobutyl methanol 29.18
    2-phenylethanol 92.38
    styrene 35.22
    dioctyl adipate 68.69
    dimethyl sulfate 326.8
    ethyl butyrate 74.17
    methyl lactate 159.62
    butyl lactate 76.92
    diethyl carbonate 56.19
    propanediol butyl ether 156.68
    triethyl orthoformate 55.63
    p-tert-butyltoluene 20.87
    methyl 4-tert-butylbenzoate 121.38
    morpholine 470.61
    tert-butylamine 148.51
    n-dodecanol 17.58
    dimethoxymethane 489.71
    ethylene carbonate 126.47
    cyrene 187.62
    2-ethoxyethyl acetate 137.44
    2-ethylhexyl acetate 65.82
    1,2,4-trichlorobenzene 90.6
    4-methylpyridine 177.36
    dibutyl ether 42.45
    2,6-dimethyl-4-heptanol 29.18
    DEF 303.51
    dimethyl isosorbide 252.89
    tetrachloroethylene 129.95
    eugenol 122.34
    triacetin 147.84
    span 80 109.45
    1,4-butanediol 119.4
    1,1-dichloroethane 99.9
    2-methyl-1-pentanol 103.45
    methyl formate 395.36
    2-methyl-1-butanol 138.94
    n-decane 1.94
    butyronitrile 98.55
    3,7-dimethyl-1-octanol 47.82
    1-chlorooctane 15.98
    1-chlorotetradecane 5.47
    n-nonane 1.8
    undecane 1.42
    tert-butylcyclohexane 5.05
    cyclooctane 1.54
    cyclopentanol 187.21
    tetrahydropyran 205.45
    tert-amyl methyl ether 158.35
    2,5,8-trioxanonane 282.49
    1-hexene 26.32
    2-isopropoxyethanol 221.27
    2,2,2-trifluoroethanol 196.21
    methyl butyrate 145.19

    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