P-Cresol

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  • Identifiers

    CAS number
    106-44-5

    Molecular formula
    C7H8O

    SMILES
    CC1=CC=C(C=C1)O

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Retention indicies (RI)

    • DB5: 1078.33
    • Carbowax: 2047.33

  • Odor profile

    Phenolic 86.91%
    Medicinal 64.46%
    Smoky 52.44%
    Animal 52.32%
    Leathery 49.45%
    Woody 39.2%
    Burnt 34.62%
    Musty 33.8%
    Spicy 30.86%
    Nutty 27.55%

    Scent© AI

    Odor threshold

    • Odor Threshold Low: 0.00046 [mmHg]. Odor Threshold High: 0.2 [mmHg]. Odor threshold low (detection) and high (recognition) from CHRIS
    • 0.2 ppm recognition in air; 0.46 ppb detection in air.

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    9.85 (weak base)

    Molecular weight
    108.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • 94.6 °F (NTP, 1992)
    • 35.5 °C
    • 34.77 °C
    • 35 °C
    • 95 °F

    Boiling point

    • 395.2 °F at 760 mmHg (NTP, 1992)
    • 201.9 °C
    • 201.80 to 202.00 °C. @ 760.00 mm Hg
    • 202 °C
    • 396 °F

    Flash point est.
    83.95 ˚C

    Flash point expt.

    • 187 °F (NTP, 1992)
    • 85 °C (185 °F) - closed cup
    • 187 °F (86 °C) (Closed cup)
    • 86 °C c.c.
    • 187 °F

    Solubility expt.

    • less than 1 mg/mL at 70 °F (NTP, 1992)
    • 21500 mg/L (at 25 °C)
    • In water, 2.15X10+4 mg/L at 25 °C
    • 2.5 g in 100 mL water at 50 °C; 5.0 g in 100 mL water at 100 °C. Soluble in aqueous alkali hydroxides. Souble in organic solvents.
    • Miscible with ethanol, ether, acetone, benzene and carbon tetrachloride
    • Soluble in vegetable oils, glycerin and dilute alkai
    • 21.5 mg/mL at 25 °C
    • Solubility in water, g/100ml at 25 °C: 1.9 (moderate)
    • slightly soluble in water
    • very soluble (in ethanol)
    • 2%

  • Synonyms

    • 4-Methylphenol
    • P-CRESOL
    • 106-44-5
    • 4-Cresol
    • 4-Hydroxytoluene
    • Phenol, 4-methyl-
    • p-Methylphenol
    • para-Cresol
    • p-Hydroxytoluene
    • p-Tolyl alcohol
    • p-Kresol
    • p-Oxytoluene
    • p-Toluol
    • p-Cresylic acid
    • Paracresol
    • 1-Hydroxy-4-methylbenzene
    • p-Methylhydroxybenzene
    • 1-Methyl-4-hydroxybenzene
    • Paramethyl phenol
    • para-Cresylic acid
    • 4-methyl phenol
    • Cresol, p-
    • p-Kresol [German]
    • Cresol, para-
    • p-Methyl phenol
    • CRESOL, PARA
    • Cresol, p-isomer
    • NSC 3696
    • CCRIS 647
    • FEMA No. 2337
    • p-Cresylate
    • HSDB 1814
    • UNII-1MXY2UM8NV
    • 4-methyl-phenol
    • 4-methylphenol (p-cresol)
    • Cresol,p-
    • EINECS 203-398-6
    • MFCD00002376
    • Phenol, 4-methyI
    • DTXSID7021869
    • AI3-00150
    • NSC-3696
    • P-CRESOL [FHFI]
    • P-CRESOL [HSDB]
    • 1MXY2UM8NV
    • P-CRESOL [MI]
    • CHEMBL16645
    • DTXCID101869
    • CHEBI:17847
    • PARACRESOL [USP IMPURITY]
    • NSC3696
    • EC 203-398-6
    • NCGC00091519-04
    • TOLUENE,4-HYDROXY (PARA-CRESOL)
    • METACRESOL IMPURITY C [EP IMPURITY]
    • p-Cresol [UN2076] [Poison, Corrosive]
    • p-KRESOL (GERMAN)
    • DSSTox_CID_1869
    • AMYLMETACRESOL IMPURITY D [EP IMPURITY]
    • PARACRESOL (USP IMPURITY)
    • CAS-106-44-5
    • METACRESOL IMPURITY C (EP IMPURITY)
    • AMYLMETACRESOL IMPURITY D (EP IMPURITY)
    • pHydroxytoluene
    • pMethylphenol
    • pMethylphenylol
    • pOxytoluene
    • pKresol
    • pToluol
    • 4methylphenol
    • 4Hydroxytoluene
    • para cresol
    • pCresylic acid
    • p-methyl-phenol
    • p-Methylphenylol
    • Cresol, pisomer
    • paraCresylic acid
    • 4Cresol
    • Phenol, 4methyl
    • Cresol, p
    • para-hydroxytoluene
    • pMethylhydroxybenzene
    • 1Hydroxy4methylbenzene
    • 1Methyl4hydroxybenzene
    • p-Cresol, 99%
    • Spectrum_000850
    • Tolterodine Impurity 6
    • p-Cresol, High Purity
    • CRESOL (PARA)
    • P-CRESOL [INCI]
    • Spectrum2_000765
    • Spectrum4_001740
    • Spectrum5_000540
    • SCHEMBL375
    • 4-Hydroxy-1-methylbenzene
    • bmse000458
    • p-Cresol (ACGIH:OSHA)
    • DSSTox_RID_77380
    • DSSTox_RID_77554
    • NCIOpen2_001516
    • Phenol, 4-methyl-(9CI)
    • WLN: QR D1
    • DSSTox_GSID_24364
    • DSSTox_GSID_24858
    • KBioGR_002160
    • KBioSS_001330
    • p-Cresol, analytical standard
    • BIDD:ER0010
    • DivK1c_000381
    • SPECTRUM1500209
    • Cresol, (Mixture of isomers)
    • p-Cresol, >=99%, FG
    • SPBio_000810
    • SCHEMBL7812506
    • SGCUT00097
    • HMS501D03
    • KBio1_000381
    • KBio2_001330
    • KBio2_003898
    • KBio2_006466
    • DTXSID30236875
    • DTXSID40185628
    • NINDS_000381
    • HMS1920A16
    • HMS2091I04
    • Pharmakon1600-01500209
    • p-Cresol, for synthesis, 98.0%
    • 4-Methylphenol, analytical standard

  • Applications

    p-Cresol, CAS number 106-44-5, is a key monohydric phenol widely used as an intermediate for the manufacture of synthetic antioxidant BHT and numerous polymer additives, as a building block for novolac resins, lubricant stabilizers, fungicides, wood preservatives, dyes, pigments, detergents and disinfectants, and as a precursor in the synthesis of vitamin E, flavor and smoke aromas, rubber reinforcing agents and gasoline additives; thanks to its strong antimicrobial activity and its high reactivity toward alkylation, sulfonation and esterification, p-Cresol is valued for tuning mechanical properties, thermal resistance and aging stability of materials, as well as enhancing the shelf life and performance of agricultural, pharmaceutical and food products in large-scale manufacturing.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1217.82
    methanol 909.41
    isopropanol 1015.81
    water 6.34
    ethyl acetate 827.18
    n-propanol 957.52
    acetone 1068.78
    n-butanol 738.78
    acetonitrile 679.33
    DMF 955.83
    toluene 102.79
    isobutanol 601.22
    1,4-dioxane 811.03
    methyl acetate 888.12
    THF 1262.42
    2-butanone 977.96
    n-pentanol 485.06
    sec-butanol 757.11
    n-hexane 39.12
    ethylene glycol 277.48
    NMP 272.09
    cyclohexane 16.7
    DMSO 697.5
    n-butyl acetate 337.04
    n-octanol 249.77
    chloroform 467.74
    n-propyl acetate 358.6
    acetic acid 382.45
    dichloromethane 342.77
    cyclohexanone 383.83
    propylene glycol 477.82
    isopropyl acetate 347.81
    DMAc 667.28
    2-ethoxyethanol 643.11
    isopentanol 469.97
    n-heptane 36.21
    ethyl formate 444.33
    1,2-dichloroethane 284.16
    n-hexanol 638.18
    2-methoxyethanol 1091.61
    isobutyl acetate 209.61
    tetrachloromethane 90.77
    n-pentyl acetate 179.37
    transcutol 871.07
    n-heptanol 267.45
    ethylbenzene 94.27
    MIBK 295.33
    2-propoxyethanol 901.33
    tert-butanol 810.78
    MTBE 524.61
    2-butoxyethanol 436.52
    propionic acid 549.77
    o-xylene 68.64
    formic acid 171.5
    diethyl ether 518.62
    m-xylene 85.82
    p-xylene 97.37
    chlorobenzene 126.72
    dimethyl carbonate 237.3
    n-octane 19.48
    formamide 312.49
    cyclopentanone 660.69
    2-pentanone 611.58
    anisole 279.25
    cyclopentyl methyl ether 351.9
    gamma-butyrolactone 603.37
    1-methoxy-2-propanol 971.95
    pyridine 358.48
    3-pentanone 359.46
    furfural 399.39
    n-dodecane 18.39
    diethylene glycol 591.03
    diisopropyl ether 109.01
    tert-amyl alcohol 621.23
    acetylacetone 454.58
    n-hexadecane 19.59
    acetophenone 170.73
    methyl propionate 613.65
    isopentyl acetate 239.34
    trichloroethylene 446.38
    n-nonanol 203.89
    cyclohexanol 232.38
    benzyl alcohol 199.13
    2-ethylhexanol 245.99
    isooctanol 185.73
    dipropyl ether 253.73
    1,2-dichlorobenzene 99.18
    ethyl lactate 189.32
    propylene carbonate 270.67
    n-methylformamide 673.89
    2-pentanol 438.31
    n-pentane 29.62
    1-propoxy-2-propanol 549.73
    1-methoxy-2-propyl acetate 341.76
    2-(2-methoxypropoxy) propanol 262.23
    mesitylene 50.12
    ε-caprolactone 341.56
    p-cymene 57.91
    epichlorohydrin 729.68
    1,1,1-trichloroethane 305.52
    2-aminoethanol 589.75
    morpholine-4-carbaldehyde 511.09
    sulfolane 385.39
    2,2,4-trimethylpentane 20.43
    2-methyltetrahydrofuran 691.3
    n-hexyl acetate 265.36
    isooctane 21.73
    2-(2-butoxyethoxy)ethanol 407.09
    sec-butyl acetate 205.66
    tert-butyl acetate 288.27
    decalin 19.75
    glycerin 436.33
    diglyme 633.76
    acrylic acid 340.94
    isopropyl myristate 92.62
    n-butyric acid 613.47
    acetyl acetate 253.54
    di(2-ethylhexyl) phthalate 78.37
    ethyl propionate 332.63
    nitromethane 772.25
    1,2-diethoxyethane 319.36
    benzonitrile 179.46
    trioctyl phosphate 74.68
    1-bromopropane 225.07
    gamma-valerolactone 684.8
    n-decanol 157.64
    triethyl phosphate 78.63
    4-methyl-2-pentanol 229.69
    propionitrile 613.5
    vinylene carbonate 249.95
    1,1,2-trichlorotrifluoroethane 389.17
    DMS 174.24
    cumene 68.76
    2-octanol 172.19
    2-hexanone 375.08
    octyl acetate 139.11
    limonene 76.63
    1,2-dimethoxyethane 771.47
    ethyl orthosilicate 78.74
    tributyl phosphate 74.55
    diacetone alcohol 434.69
    N,N-dimethylaniline 148.78
    acrylonitrile 617.4
    aniline 188.02
    1,3-propanediol 709.21
    bromobenzene 106.51
    dibromomethane 236.6
    1,1,2,2-tetrachloroethane 357.34
    2-methyl-cyclohexyl acetate 122.82
    tetrabutyl urea 97.58
    diisobutyl methanol 124.44
    2-phenylethanol 264.13
    styrene 101.54
    dioctyl adipate 102.54
    dimethyl sulfate 248.58
    ethyl butyrate 217.72
    methyl lactate 305.57
    butyl lactate 152.81
    diethyl carbonate 129.95
    propanediol butyl ether 345.42
    triethyl orthoformate 115.43
    p-tert-butyltoluene 60.43
    methyl 4-tert-butylbenzoate 171.47
    morpholine 899.2
    tert-butylamine 387.49
    n-dodecanol 116.0
    dimethoxymethane 701.99
    ethylene carbonate 220.14
    cyrene 177.83
    2-ethoxyethyl acetate 260.69
    2-ethylhexyl acetate 158.62
    1,2,4-trichlorobenzene 113.06
    4-methylpyridine 332.59
    dibutyl ether 180.43
    2,6-dimethyl-4-heptanol 124.44
    DEF 421.48
    dimethyl isosorbide 314.87
    tetrachloroethylene 195.28
    eugenol 212.68
    triacetin 171.9
    span 80 225.93
    1,4-butanediol 292.21
    1,1-dichloroethane 426.01
    2-methyl-1-pentanol 326.15
    methyl formate 459.11
    2-methyl-1-butanol 449.96
    n-decane 30.43
    butyronitrile 535.4
    3,7-dimethyl-1-octanol 199.63
    1-chlorooctane 113.66
    1-chlorotetradecane 42.42
    n-nonane 30.31
    undecane 23.01
    tert-butylcyclohexane 30.38
    cyclooctane 9.28
    cyclopentanol 357.63
    tetrahydropyran 599.47
    tert-amyl methyl ether 310.58
    2,5,8-trioxanonane 401.25
    1-hexene 186.57
    2-isopropoxyethanol 463.24
    2,2,2-trifluoroethanol 165.71
    methyl butyrate 389.11

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.005 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.005 %
Category 2
Products applied to the axillae
 0.005 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.005 %
Category 3
Products applied to the face/body using fingertips
 0.005 % Category 8
Products with significant anogenital exposure
 0.0017 %
Category 4
Products related to fine fragrance
 0.005 % Category 9
Products with body and hand exposure, primarily rinse off
 0.005 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.005 % Category 10A
Household care products with mostly hand contact
 0.005 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.005 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0.005 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.005 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.0017 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.0017 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.0017 %
Category 6
Products with oral and lip exposure
 0.005 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Atractylis Atractylodes lancea (Thunb.) DC. (A. ovata Thunb.; A. chinensis (Bunge)DC) 0.05%
Ayou Aydendron barbeyana Mez. (Nectandra globosa Mez.), fam. Lauraceae 0.05%
Blackcurrant bud 1 68606-81-5 Ribes nigrum L., fam. Grossulariaceae 0.01%
Jasmine absolute 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.5%
Jasmine sambac (China) concrete Jasminum sambac (L.) Aiton, fam. Oleaceae 0.05%
Jasmine sambac (Malati) concrete Jasminum sambac (L.) Aiton, fam. Oleaceae 0.05%
Jasmine sambac (Sampaquita) concrete Jasminum sambac (L.) Aiton (Sampaquita), fam. Oleaceae 0.05%
Ylang Ylang 4 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.07%
Jasmine absolute (India) 2 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.8%
Jasmine oil (India) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 1.0%
Jasmine oil (Turkey) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 1.13%
Jasmine absolute (Turkey) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.79%
Jasmine absolute (Italy) 2 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.42%
Jasmine absolute (India) 1 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.19%
Jasmine absolute (Morocco) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.29%
Jasmine absolute (Egypt) 2 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.08%
Gingergrass (India) 5 Cymbopogon martini Stapf., var. sofia, fam. Poaceae (Gramineae) 0.13%
Jasmine absolute (Japan) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.41%
Ylang Ylang 2a 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.1%
Ylang Ylang 2c 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.1%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.05%
Mimusops elengi flower headspace Mimusops elengi L., fam. Sapotaceae 0.31%
Aerangis brachycarpa flower headspace Aerangis brachycarpa Rchb. f., fam. Orchidaceae 0.05%
Jasmine polyanthum flower headspace Jasminum polyanthum L., fam. Oleaceae 21.6%
Jasmine absolute (Egypt) 4 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.96%
Illicium griffithii fruit Illicium griffithii Hook. f. et Thoms., fam. Magnoliaceae (Illiciaceae) 0.05%
Lawsonia inermis flower 1b Lawsonia inermis L. (syn. L. alba Lam.), fam. Lytraceae 0.2%
Rhubarb root Rheum palmatum L., fam. Polygonaceae 0.01%
Ylang Ylang (China) 4 68606-83-7 Cananga odorata (Lamk.) Hook. f. et Thomson, fam. Annonaceae 0.27%
Jasmine (China) 2a (headspace) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 2.86%
Jasmine (China) 2b (absolute) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 3.76%
Tulip sylvestre Tulipa sylvestris L., fam. Liliaceae 0.11%
Petiveria alliaceae (Benin) Petiveria alliaceae L., fam. Phytolaccaceae 0.4%
Mango (India) 1c cv. Desi 90063-86-8 Mangifera indica L. cv. Desi, fam. Anacardiaceae 0.6%
Mullilam leaf (India) Zanthoxylum rhetsa D.C. syn. Z. limonella (Dennst.) Alston, fam. Rutaceae 0.1%
Osage orange fruit, 1b steamdistilled Maclura pomifera (Raf.) Schneid, fam. Moraceae 3.6%