O-Cresol

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  • Identifiers

    CAS number
    95-48-7

    Molecular formula
    C7H8O

    SMILES
    CC1=CC=CC=C1O

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Retention indicies (RI)

    • DB5: 1052.5
    • Carbowax: 2015.67

  • Odor profile

    Phenolic 91.66%
    Medicinal 74.69%
    Smoky 67.41%
    Sweet 55.49%
    Leathery 49.92%
    Spicy 47.28%
    Musty 45.0%
    Burnt 44.19%
    Woody 38.35%
    Animal 37.92%

    Scent© AI

    Odor threshold

    • Odor Threshold Low: 0.26 [mmHg]. Odor Threshold High: 0.65 [mmHg]. Odor threshold low (detection) and high (recognition) from CHRIS
    • 5 ppm

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    9.65 (weak base)

    Molecular weight
    108.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • 88 °F (EPA, 1998)
    • 31.0 °C
    • 29.8 °C
    • 31 °C
    • 88 °F

    Boiling point

    • 376 °F at 760 mmHg (EPA, 1998)
    • 191.0 °C
    • 191.00 to 192.00 °C. @ 760.00 mm Hg
    • 191 °C
    • 376 °F

    Flash point est.
    71.17 ˚C

    Flash point expt.

    • 177.8 to 181.4 °F (EPA, 1998)
    • 81.0 °C (177.8 °F) - closed cup
    • 178 °F (81 °C) (Closed cup)
    • 81 °C c.c.
    • 178 °F

    Solubility expt.

    • less than 1 mg/mL at 66 °F (NTP, 1992)
    • In water, 2.59X10+4 mg/L at 25 °C
    • Soluble in about 40 parts water.
    • Miscible with ethanol, chloroform and ether. Soluble in solution of the fixed alkali hydroxides.
    • Miscible with acetone, benzene and carbon tetrachloride
    • Soluble in vegetable oils
    • 25.9 mg/mL at 25 °C
    • Solubility in water, g/100ml at 25 °C: 2.5 (moderate)
    • soluble in water
    • very soluble (in ethanol)
    • 2%

  • Synonyms

    • o-cresol
    • 2-Methylphenol
    • 95-48-7
    • Orthocresol
    • 2-hydroxytoluene
    • Phenol, 2-methyl-
    • 2-Cresol
    • o-methylphenol
    • o-Cresylic acid
    • o-Oxytoluene
    • o-Toluol
    • ortho-cresol
    • 1-Hydroxy-2-methylbenzene
    • o-Hydroxytoluene
    • o-Methylphenylol
    • o-Kresol
    • Cresol, ortho-
    • Cresol, o-
    • 2-methyl phenol
    • 2-Hydroxy-1-methylbenzene
    • o-Kresol [German]
    • 2-methyl-phenol
    • Phenol, methyl-
    • FEMA No. 3480
    • Cresol, o-isomer
    • Orthocresol [NF]
    • 1-Methyl-2-hydroxybenzene
    • CCRIS 646
    • NSC 23076
    • HSDB 1813
    • EINECS 202-423-8
    • YW84DH5I7U
    • DTXSID8021808
    • CHEBI:28054
    • AI3-00137
    • O-CRESOL [FHFI]
    • NSC-23076
    • NSC-36809
    • O-CRESOL [MI]
    • ORTHOCRESOL [HSDB]
    • DTXCID901808
    • EC 202-423-8
    • ORTHOCRESOL [USP IMPURITY]
    • MFCD00002226
    • o-Cresol-d3
    • METACRESOL IMPURITY B [EP IMPURITY]
    • TOLUENE,2-HYDROXY (ORTHO-CRESOL)
    • o-Cresol [UN2076] [Poison, Corrosive]
    • 2-Methylphenol; o-Cresol
    • O-KRESOL (GERMAN)
    • WLN: QR B1
    • ORTHOCRESOL (USP IMPURITY)
    • hydroxy toluene
    • CAS-95-48-7
    • METACRESOL IMPURITY B (EP IMPURITY)
    • CRESOL, ORTHO
    • UNII-YW84DH5I7U
    • oHydroxytoluene
    • oMethylphenol
    • oMethylphenylol
    • oOxytoluene
    • oCresol
    • oKresol
    • oToluol
    • 2methylphenol
    • 2Hydroxytoluene
    • ortho cresol
    • Methyl phenol
    • oCresylic acid
    • ortho-Toluol
    • 2-methyiphenol
    • ortho-Oxytoluene
    • Cresol, oisomer
    • 2Cresol
    • Phenol, 2methyl
    • ortho-Methylphenol
    • orthoHydroxytoluene
    • Cresol, o
    • JZ0
    • ortho-Cresylic acid
    • ortho-Hydroxytoluene
    • ortho-Methylphenylol
    • 1Hydroxy2methylbenzene
    • 2Hydroxy1methylbenzene
    • Carvacrol derivative, 9
    • O-CRESOL [INCI]
    • o-Cresol, >=99%
    • bmse000433
    • 2-Methylphenol (o-cresol)
    • o-Cresol (ACGIH:OSHA)
    • ortho-cresol,2-methylphenol
    • Phenol, 2-methyl-(9CI)
    • SCHEMBL16002
    • MLS002454426
    • o-Cresol, analytical standard
    • BIDD:ER0677
    • CHEMBL46931
    • DTXSID40165844
    • 2-Hydroxytoluene; 2-Methylphenol
    • BDBM248166
    • HMS2268O24
    • o-Cresol, for synthesis, 99.3%
    • 2-Methylphenol, analytical standard
    • CIA32550
    • NSC23076
    • NSC36809
    • Tox21_202305
    • Tox21_300021
    • STL194295
    • o-Cresol, ReagentPlus(R), >=99%
    • AKOS000119021
    • NCGC00091534-01
    • NCGC00091534-02
    • NCGC00091534-03
    • NCGC00091534-04
    • NCGC00254140-01
    • NCGC00259854-01
    • o-Cresol, SAJ first grade, >=97.0%
    • SMR001252248
    • TOLUENE,2-HYDROXY (ORTHO-CRESOL)
    • 2-Methylphenol 100 microg/mL in Methanol
    • NS00003545
    • EN300-19429
    • C01542
    • Q312708
    • F0001-2271
    • Z104473822
    • Flavor and Extract Manufacturers' Association Number 3480

  • Applications

    o-Cresol (CAS 95-48-7) is a versatile aromatic compound primarily used as an intermediate for producing pesticides, disinfectants, novolac resins, lubricant antioxidants, plasticizers, dyes, fragrances, rubber additives, pharmaceuticals and luminescent materials; it is also employed in the synthesis of flame-retardant phosphate esters, fenpropimorph, mecoprop, OLED emitters, photographic developers, CO₂-scrubbing agents for microelectronics, specialty solvents for printed-circuit fabrication, synthetic-fiber modifiers, binders in alkaline batteries, and broad-spectrum antiseptic cleaning formulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 607.4
    methanol 786.46
    isopropanol 346.61
    water 5.95
    ethyl acetate 458.12
    n-propanol 469.84
    acetone 146.89
    n-butanol 414.19
    acetonitrile 395.78
    DMF 183.2
    toluene 66.08
    isobutanol 258.8
    1,4-dioxane 673.13
    methyl acetate 336.29
    THF 623.38
    2-butanone 264.04
    n-pentanol 346.25
    sec-butanol 321.46
    n-hexane 52.93
    ethylene glycol 68.86
    NMP 132.44
    cyclohexane 24.31
    DMSO 229.03
    n-butyl acetate 315.64
    n-octanol 134.94
    chloroform 528.84
    n-propyl acetate 276.54
    acetic acid 346.08
    dichloromethane 457.9
    cyclohexanone 209.62
    propylene glycol 74.34
    isopropyl acetate 216.78
    DMAc 169.34
    2-ethoxyethanol 406.94
    isopentanol 319.92
    n-heptane 43.37
    ethyl formate 247.22
    1,2-dichloroethane 263.38
    n-hexanol 335.56
    2-methoxyethanol 444.6
    isobutyl acetate 152.75
    tetrachloromethane 110.99
    n-pentyl acetate 168.37
    transcutol 1168.3
    n-heptanol 162.81
    ethylbenzene 45.87
    MIBK 173.87
    2-propoxyethanol 423.58
    tert-butanol 407.58
    MTBE 375.87
    2-butoxyethanol 269.93
    propionic acid 318.0
    o-xylene 51.29
    formic acid 211.82
    diethyl ether 564.61
    m-xylene 56.56
    p-xylene 56.09
    chlorobenzene 98.26
    dimethyl carbonate 80.59
    n-octane 17.32
    formamide 355.42
    cyclopentanone 224.59
    2-pentanone 237.26
    anisole 142.98
    cyclopentyl methyl ether 226.5
    gamma-butyrolactone 326.53
    1-methoxy-2-propanol 298.93
    pyridine 261.78
    3-pentanone 161.05
    furfural 282.08
    n-dodecane 11.38
    diethylene glycol 231.17
    diisopropyl ether 131.98
    tert-amyl alcohol 354.61
    acetylacetone 164.32
    n-hexadecane 12.3
    acetophenone 110.18
    methyl propionate 236.6
    isopentyl acetate 240.16
    trichloroethylene 397.28
    n-nonanol 122.36
    cyclohexanol 159.23
    benzyl alcohol 110.03
    2-ethylhexanol 175.32
    isooctanol 139.0
    dipropyl ether 251.98
    1,2-dichlorobenzene 88.4
    ethyl lactate 83.25
    propylene carbonate 191.4
    n-methylformamide 251.9
    2-pentanol 278.45
    n-pentane 45.84
    1-propoxy-2-propanol 301.01
    1-methoxy-2-propyl acetate 232.85
    2-(2-methoxypropoxy) propanol 199.81
    mesitylene 41.79
    ε-caprolactone 244.96
    p-cymene 44.74
    epichlorohydrin 422.78
    1,1,1-trichloroethane 238.62
    2-aminoethanol 194.01
    morpholine-4-carbaldehyde 322.01
    sulfolane 226.57
    2,2,4-trimethylpentane 26.96
    2-methyltetrahydrofuran 395.62
    n-hexyl acetate 187.06
    isooctane 27.91
    2-(2-butoxyethoxy)ethanol 337.48
    sec-butyl acetate 162.12
    tert-butyl acetate 221.7
    decalin 19.89
    glycerin 109.68
    diglyme 556.35
    acrylic acid 195.61
    isopropyl myristate 77.46
    n-butyric acid 445.08
    acetyl acetate 163.87
    di(2-ethylhexyl) phthalate 58.77
    ethyl propionate 187.95
    nitromethane 427.32
    1,2-diethoxyethane 478.25
    benzonitrile 135.43
    trioctyl phosphate 50.1
    1-bromopropane 209.25
    gamma-valerolactone 346.19
    n-decanol 88.88
    triethyl phosphate 76.22
    4-methyl-2-pentanol 162.07
    propionitrile 336.55
    vinylene carbonate 181.9
    1,1,2-trichlorotrifluoroethane 211.91
    DMS 110.09
    cumene 45.27
    2-octanol 104.91
    2-hexanone 238.75
    octyl acetate 93.52
    limonene 67.04
    1,2-dimethoxyethane 502.76
    ethyl orthosilicate 86.86
    tributyl phosphate 67.16
    diacetone alcohol 214.86
    N,N-dimethylaniline 93.89
    acrylonitrile 301.86
    aniline 118.65
    1,3-propanediol 287.51
    bromobenzene 85.83
    dibromomethane 299.12
    1,1,2,2-tetrachloroethane 284.08
    2-methyl-cyclohexyl acetate 120.46
    tetrabutyl urea 68.91
    diisobutyl methanol 101.74
    2-phenylethanol 142.3
    styrene 54.24
    dioctyl adipate 92.66
    dimethyl sulfate 91.79
    ethyl butyrate 223.45
    methyl lactate 83.67
    butyl lactate 109.67
    diethyl carbonate 129.63
    propanediol butyl ether 163.52
    triethyl orthoformate 139.09
    p-tert-butyltoluene 45.73
    methyl 4-tert-butylbenzoate 113.26
    morpholine 662.31
    tert-butylamine 287.24
    n-dodecanol 64.61
    dimethoxymethane 278.81
    ethylene carbonate 165.24
    cyrene 123.95
    2-ethoxyethyl acetate 229.55
    2-ethylhexyl acetate 174.33
    1,2,4-trichlorobenzene 94.33
    4-methylpyridine 199.67
    dibutyl ether 180.45
    2,6-dimethyl-4-heptanol 101.74
    DEF 226.05
    dimethyl isosorbide 286.59
    tetrachloroethylene 214.03
    eugenol 132.5
    triacetin 135.15
    span 80 153.28
    1,4-butanediol 118.64
    1,1-dichloroethane 283.55
    2-methyl-1-pentanol 280.4
    methyl formate 146.36
    2-methyl-1-butanol 289.74
    n-decane 20.52
    butyronitrile 328.81
    3,7-dimethyl-1-octanol 135.45
    1-chlorooctane 72.03
    1-chlorotetradecane 27.5
    n-nonane 19.75
    undecane 14.48
    tert-butylcyclohexane 28.92
    cyclooctane 12.15
    cyclopentanol 169.4
    tetrahydropyran 479.48
    tert-amyl methyl ether 257.91
    2,5,8-trioxanonane 348.05
    1-hexene 167.97
    2-isopropoxyethanol 278.58
    2,2,2-trifluoroethanol 120.36
    methyl butyrate 238.01

    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

Botanical

Name CAS Botanical Proportion
Atractylis Atractylodes lancea (Thunb.) DC. (A. ovata Thunb.; A. chinensis (Bunge)DC) 0.05%
Jasmine (Egypt) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.28%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.05%
Cyphomandra betacea fruit Cyphomandra betacea Sendtn., fam. Solanaceae (tree tomato, tamarillo) 0.01%
Rose (Bulgaria) 4a 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.6%
Rose (Bulgaria) 4b 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.1%
Rose (Bulgaria) 4c 8007-01-0 Rosa damascena Mill., fam. Rosaceae 0.2%
Mullilam leaf (India) Zanthoxylum rhetsa D.C. syn. Z. limonella (Dennst.) Alston, fam. Rutaceae 0.2%
Chicory root, roasted 1a 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.02%
Chicory root, roasted 1b 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.01%
Anthoxanthum odoratum (Italy) 1a fresh leaf Anthoxanthum odoratum L., fam. Poaceae (Gramineae) 0.01%
Anthoxanthum odoratum (Italy) 1b hay Anthoxanthum odoratum L., fam. Poaceae (Gramineae) 0.01%