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

    Fragrance
    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%

     

    Flavor
    Phenolic 85.29%
    Medicinal 69.67%
    Phenol 56.9%
    Smoke 47.54%
    Plastic 42.12%
    Medical 36.76%
    Naphthyl 35.69%
    Medicine 34.56%
    Leather 32.59%
    Smoky 31.75%

     

    Odor impact est.
    High

    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

    • 83.95 ˚C est.
    • 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 106-44-5) is used as a chemical intermediate and feedstock for the production of cresol-formaldehyde resins used in coatings, laminates, and wood adhesives; it serves as a precursor for polymer stabilizers, notably phenolic antioxidants used to protect plastics and fuels; it acts as an intermediate in the synthesis of agrochemicals and pharmaceutical intermediates; it is occasionally evaluated as an odorant/fragrance material in specialty perfumery due to its distinctive aroma; it can function as a solvent or processing aid in organic synthesis; and it is employed as a building block for dyes and other specialty chemicals.

  • 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%