Phenol

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  • Identifiers

    CAS number
    108-95-2

    Molecular formula
    C6H6O

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

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

    Retention indicies (RI)

    • DB5: 976.0
    • Carbowax: 1988.14

  • Odor profile

    Phenolic 89.76%
    Medicinal 70.18%
    Smoky 49.4%
    Animal 42.96%
    Burnt 41.7%
    Leathery 40.82%
    Musty 38.42%
    Woody 34.59%
    Nutty 33.94%
    Sweet 29.88%

    Scent© AI

    Odor threshold

    • Odor Threshold Low: 0.0045 [mmHg]. Odor Threshold High: 1.0 [mmHg]. Detection odor threshold from AIHA (mean = 0.060 ppm)
    • The phenol odor threshold of 19 people was measured and the lowest range of concentrations detected was 0.022-0.094 mg/cu m (0.006-0.024 ppm).
    • Threshold odor concentration: 0.047-0.5 ppm; Absolute odor threshold: 0.048 ppm; Recognition threshold: median 0.65 ppm, upper-16.4 ppm; Population identification threshold: 0.01-0.47 ppm.
    • In water odor detection threshold: 5.90 ppm /chemically pure/; In air odor recognition threshold: 4.70x10-2 ppm; /chemically pure/; In air odor detection threshold: 1.00 ppm /purity not specified/; In air odor recognition threshold 4.70x10-2 ppm /pure/; In air odor threshold (type not specified): 7.70x10+10 molecules/cu cm /purity not specified/; In air odor threshold (type not specified): 2.60x10+11 molecules/cu cm /purity not specified/; In water taste threshold (type not specified): 6.00x10+1 ppm /purity not specified/; Odor threshold (medium & type of threshold not specified): 1.05x10+2 ppm /purity not specified/; Taste detection threshold in synthetic deodorized butter: 1.00x10-2 ppm /chemically pure/; Taste detection threshold (medium not specified): 1.00x10-2 ppm /purity not specified/; In beer taste recognition threshold: 2.71x10+1 moles/l /chemically pure/; In beer taste detection threshold: 1.25x10+1 ppb /chemically pure/; In water taste detection threshold: 2.50x10+1 ppm /purity not specified/; Taste recognition threshold (medium not specified): 1.00x10-2 ppm /purity not specified/
    • Odor Low= 0.1786 mg/m; Odor High= 22.42 mg/m
    • 7.9 ppm in water; 0.05 ppm in air

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    9.82 (weak base)

    Molecular weight
    94.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • 109 °F (NTP, 1992)
    • 109 °F (NIOSH, 2024)
    • 109 °F (EPA, 1998)
    • 40.9 °C
    • 40.91 °C
    • 41 °C
    • 109 °F

    Boiling point

    • 360 °F at 760 mmHg (NTP, 1992)
    • 359 °F at 760 mmHg (NIOSH, 2024)
    • 359.1 °F at 760 mmHg (EPA, 1998)
    • 181.8 °C
    • 181.75 °C @ 101.3 kPa
    • 182 °C
    • 359 °F

    Flash point est.
    67.44 ˚C

    Flash point expt.

    • 175 °F (NTP, 1992)
    • 175 °F (NIOSH, 2024)
    • 174.2 °F (EPA, 1998)
    • 175 °F
    • 175 °F; 79 °C, (Closed cup)
    • 85 °C, (Open cup)
    • 79 °C c.c.

    Solubility expt.

    • 50 to 100 mg/mL at 66 °F (NTP, 1992)
    • 9 % at 77 °F (NIOSH, 2024)
    • 9 % at 77 °F (NIOSH, 2024)
    • 82800 mg/L (at 25 °C)
    • 1 g/15 ml water
    • 1 g/12 ml benzene
    • Very soluble in alcohol, chloroform, ether, glycerol, carbon disulfide, petrolatum, volatile and fixed oils, and aqueous alkali hydroxides
    • Miscible with acetone
    • For more Solubility (Complete) data for PHENOL (7 total), please visit the HSDB record page.
    • 82.8 mg/mL at 25 °C
    • Solubility in water, g/l at 20 °C: 84 (moderate)
    • soluble in water
    • very soluble (in ethanol)
    • (77 °F): 9%

  • Synonyms

    • phenol
    • 108-95-2
    • carbolic acid
    • Hydroxybenzene
    • Phenic acid
    • Oxybenzene
    • Benzenol
    • Phenylic acid
    • Phenylic alcohol
    • Monophenol
    • Phenyl hydrate
    • Phenyl hydroxide
    • PhOH
    • Monohydroxybenzene
    • Paoscle
    • Phenole
    • Izal
    • Phenyl alcohol
    • Phenol alcohol
    • Acide carbolique
    • Phenol, liquefied
    • Fenolo
    • Carbolsaure
    • Phenosmolin
    • Fenol
    • Liquid phenol
    • Phenol, pure
    • Benzene, hydroxy-
    • Rcra waste number U188
    • Liquefied phenol
    • Liquified Phenol
    • Carbolicum acidum
    • Fenolo [Italian]
    • NCI-C50124
    • Phenole [German]
    • Campho-Phenique Gel
    • phenylalcohol
    • UN 2312 (molten)
    • Phenol [JAN]
    • UN 1671 (solid)
    • Phenic
    • Carbolsaure [German]
    • Caswell No. 649
    • Campho-Phenique Liquid
    • Phenol, molten
    • 2-allphenol
    • Baker's P & S liquid & Ointment
    • Fenol [Dutch, Polish]
    • NSC 36808
    • Phenol, liquified
    • Baker's P and S Liquid and Ointment
    • Monohydroxy benzene
    • Acide carbolique [French]
    • CCRIS 504
    • MFCD00002143
    • Campho-Phenique Cold Sore Gel
    • Carbolsaeure
    • FEMA No. 3223
    • Karbolsaeure
    • HSDB 113
    • Phenoxy
    • acide phenique
    • DTXSID5021124
    • Phenic alcohol
    • Phenol,liquified
    • Synthetic phenol
    • Phenol, dimer
    • AI3-01814
    • RCRA waste no. U188
    • EINECS 203-632-7
    • UNII-339NCG44TV
    • NSC-36808
    • UN1671
    • UN2312
    • UN2821
    • EPA Pesticide Chemical Code 064001
    • 339NCG44TV
    • CHEBI:15882
    • Phenol [USP:JAN]
    • ENT-1814
    • 27073-41-2
    • CHEMBL14060
    • DTXCID501124
    • EC 203-632-7
    • NSC36808
    • Phenol, Glass Distilled Under Argon
    • Phenol, solid [UN1671] [Poison]
    • Phenol (USP:JAN)
    • Phenol, molten [UN2312] [Poison]
    • NCGC00091454-04
    • Fenosmoline
    • Fenosmolin
    • PHENOL (IARC)
    • PHENOL [IARC]
    • PHENOL (USP-RS)
    • PHENOL [USP-RS]
    • PHENOL (II)
    • PHENOL [II]
    • PHENOL (MART.)
    • PHENOL [MART.]
    • Phenol, >=99.0%
    • 17442-59-0
    • PHENOL (EP MONOGRAPH)
    • PHENOL [EP MONOGRAPH]
    • PHENOL (USP MONOGRAPH)
    • PHENOL [USP MONOGRAPH]
    • Carbol
    • hydroxy benzene
    • Phenol 100 microg/mL in Methanol
    • Phenol, liquid
    • Phenol, solid
    • Benzenol; Hydroxybenzene; NSC 36808
    • Baker's p and s
    • CAS-108-95-2
    • METACRESOL IMPURITY A (EP IMPURITY)
    • METACRESOL IMPURITY A [EP IMPURITY]
    • (14C)Phenol
    • HEXYLRESORCINOL IMPURITY A (EP IMPURITY)
    • HEXYLRESORCINOL IMPURITY A [EP IMPURITY]
    • PHENOL (2,3,4,5,6-D5)
    • arenols
    • Benzophenol
    • Karbolsaure
    • Phylorinol
    • Ulcerease
    • Hydroxy-benzene
    • Phenol liquid
    • Phenol molten

  • Applications

    Phenol (CAS 108-95-2) is an essential industrial chemical feedstock primarily employed in the manufacture of phenolic resins, bisphenol A for polycarbonate and epoxy systems, alkyl-phenol resins for detergents and lube oil additives, caprolactam for nylon-6, adipic acid for nylon-66, aniline for polyurethanes, intermediates for dyes, pigments, herbicides and agrochemicals, hospital disinfectants and antiseptics, wood preservatives, rubber additives, antioxidants in cosmetics, pharmaceutical excipients such as aspirin (via salicylic acid), resorcinol, fluorescent compounds, extraction solvents in laboratories, and it also finds use in wastewater treatment, mining, metallurgy and the fabrication of high-performance engineering plastics.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 723.01
    methanol 772.42
    isopropanol 411.39
    water 5.19
    ethyl acetate 433.4
    n-propanol 502.65
    acetone 289.08
    n-butanol 421.28
    acetonitrile 312.67
    DMF 280.97
    toluene 35.15
    isobutanol 255.75
    1,4-dioxane 659.06
    methyl acetate 329.59
    THF 610.35
    2-butanone 296.43
    n-pentanol 354.15
    sec-butanol 340.45
    n-hexane 36.99
    ethylene glycol 100.59
    NMP 222.58
    cyclohexane 19.31
    DMSO 409.66
    n-butyl acetate 295.81
    n-octanol 135.92
    chloroform 238.54
    n-propyl acetate 292.28
    acetic acid 564.25
    dichloromethane 149.58
    cyclohexanone 233.99
    propylene glycol 118.71
    isopropyl acetate 203.86
    DMAc 226.33
    2-ethoxyethanol 405.56
    isopentanol 288.72
    n-heptane 40.49
    ethyl formate 213.24
    1,2-dichloroethane 115.78
    n-hexanol 308.5
    2-methoxyethanol 536.5
    isobutyl acetate 163.8
    tetrachloromethane 41.85
    n-pentyl acetate 157.19
    transcutol 1367.58
    n-heptanol 148.77
    ethylbenzene 22.89
    MIBK 166.2
    2-propoxyethanol 445.35
    tert-butanol 384.76
    MTBE 293.97
    2-butoxyethanol 267.34
    propionic acid 424.12
    o-xylene 28.45
    formic acid 235.17
    diethyl ether 513.8
    m-xylene 31.27
    p-xylene 30.77
    chlorobenzene 51.26
    dimethyl carbonate 76.3
    n-octane 13.61
    formamide 360.59
    cyclopentanone 284.64
    2-pentanone 277.09
    anisole 105.26
    cyclopentyl methyl ether 228.56
    gamma-butyrolactone 390.61
    1-methoxy-2-propanol 389.83
    pyridine 207.04
    3-pentanone 169.99
    furfural 283.93
    n-dodecane 10.52
    diethylene glycol 281.73
    diisopropyl ether 115.48
    tert-amyl alcohol 298.76
    acetylacetone 214.71
    n-hexadecane 11.24
    acetophenone 89.42
    methyl propionate 252.5
    isopentyl acetate 195.89
    trichloroethylene 175.09
    n-nonanol 120.49
    cyclohexanol 173.3
    benzyl alcohol 92.99
    2-ethylhexanol 160.59
    isooctanol 116.09
    dipropyl ether 251.93
    1,2-dichlorobenzene 41.2
    ethyl lactate 99.24
    propylene carbonate 214.7
    n-methylformamide 314.44
    2-pentanol 290.06
    n-pentane 35.0
    1-propoxy-2-propanol 331.49
    1-methoxy-2-propyl acetate 219.34
    2-(2-methoxypropoxy) propanol 209.82
    mesitylene 23.69
    ε-caprolactone 288.68
    p-cymene 29.56
    epichlorohydrin 335.9
    1,1,1-trichloroethane 103.73
    2-aminoethanol 247.65
    morpholine-4-carbaldehyde 384.8
    sulfolane 300.27
    2,2,4-trimethylpentane 17.42
    2-methyltetrahydrofuran 396.84
    n-hexyl acetate 196.48
    isooctane 18.14
    2-(2-butoxyethoxy)ethanol 356.44
    sec-butyl acetate 164.74
    tert-butyl acetate 193.64
    decalin 12.96
    glycerin 173.08
    diglyme 563.44
    acrylic acid 263.1
    isopropyl myristate 75.29
    n-butyric acid 526.37
    acetyl acetate 170.25
    di(2-ethylhexyl) phthalate 55.42
    ethyl propionate 187.43
    nitromethane 624.54
    1,2-diethoxyethane 436.59
    benzonitrile 103.18
    trioctyl phosphate 48.97
    1-bromopropane 99.31
    gamma-valerolactone 413.46
    n-decanol 87.21
    triethyl phosphate 60.41
    4-methyl-2-pentanol 149.71
    propionitrile 249.95
    vinylene carbonate 180.83
    1,1,2-trichlorotrifluoroethane 240.95
    DMS 116.5
    cumene 25.22
    2-octanol 93.02
    2-hexanone 264.3
    octyl acetate 96.45
    limonene 51.27
    1,2-dimethoxyethane 485.27
    ethyl orthosilicate 61.84
    tributyl phosphate 61.64
    diacetone alcohol 238.95
    N,N-dimethylaniline 66.6
    acrylonitrile 225.84
    aniline 88.93
    1,3-propanediol 375.33
    bromobenzene 34.93
    dibromomethane 106.15
    1,1,2,2-tetrachloroethane 159.0
    2-methyl-cyclohexyl acetate 105.74
    tetrabutyl urea 72.26
    diisobutyl methanol 97.12
    2-phenylethanol 117.23
    styrene 28.82
    dioctyl adipate 99.23
    dimethyl sulfate 99.21
    ethyl butyrate 209.02
    methyl lactate 120.99
    butyl lactate 119.07
    diethyl carbonate 104.96
    propanediol butyl ether 200.81
    triethyl orthoformate 123.21
    p-tert-butyltoluene 30.82
    methyl 4-tert-butylbenzoate 102.82
    morpholine 684.19
    tert-butylamine 226.87
    n-dodecanol 65.31
    dimethoxymethane 291.12
    ethylene carbonate 168.0
    cyrene 122.29
    2-ethoxyethyl acetate 209.4
    2-ethylhexyl acetate 145.22
    1,2,4-trichlorobenzene 54.32
    4-methylpyridine 143.98
    dibutyl ether 185.6
    2,6-dimethyl-4-heptanol 97.12
    DEF 281.65
    dimethyl isosorbide 259.92
    tetrachloroethylene 115.99
    eugenol 118.16
    triacetin 156.89
    span 80 172.36
    1,4-butanediol 131.36
    1,1-dichloroethane 118.94
    2-methyl-1-pentanol 238.3
    methyl formate 172.34
    2-methyl-1-butanol 258.47
    n-decane 18.16
    butyronitrile 273.55
    3,7-dimethyl-1-octanol 127.07
    1-chlorooctane 61.93
    1-chlorotetradecane 24.27
    n-nonane 17.99
    undecane 13.29
    tert-butylcyclohexane 17.43
    cyclooctane 8.97
    cyclopentanol 202.68
    tetrahydropyran 465.35
    tert-amyl methyl ether 196.92
    2,5,8-trioxanonane 371.53
    1-hexene 120.84
    2-isopropoxyethanol 279.73
    2,2,2-trifluoroethanol 141.36
    methyl butyrate 245.01

    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
Blackcurrant bud 1 68606-81-5 Ribes nigrum L., fam. Grossulariaceae 0.06%
Tamarind 1 dried fruit Tamarindus indica L., fam. Leguminosae 0.1%
Agarwood smoke 1 Aquilaria agallocha Roxb., fam. Thymelaeaceae 0.29%
Agarwood smoke 2 Aquilaria agallocha Roxb., fam. Thymelaeaceae 0.98%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.05%
Styrax (Honduras) 8024-01-9 Liquidambar styraciflua L., fam. Hamamelidaceae 0.1%
Couroupita guaianensis flower (Malaysia) Couroupita guianensis Auble, fam. Lecythidaceae 0.1%
Rhubarb root Rheum palmatum L., fam. Polygonaceae 0.1%
Yarrow (Iran) 84082-83-7 Achillea millefolium L. ssp. millefolium, fam. Asteraceae (Compositae) 3.9%
Clover, white flower (Austria) Trifolium repens L., fam Liguminosae (Papilionaceae) 3.6%
Clover, red flower (Austria) 85085-25-2 Trifolium pratense L., fam. Leguminosae (Papilionaceae) 2.9%
Tulip sylvestre Tulipa sylvestris L., fam. Liliaceae 0.01%
Fenugreek 1b steamdistillate 84625-40-1 Trigonella foenum-graecum L., fam. Leguminosae 2.5%
Fenugreek 1c extract 84625-40-1 Trigonella foenum-graecum L., fam. Leguminosae 2.5%
Datura flower headspace (Japan) Datura candida (Pers.), fam. Solanaceae 0.65%
Guava fruit headspace (Reunion island) 91770-12-6 Psidium guajava L., fam. Myrtaceae 1.6%
Chicory root, roasted 1a 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.2%
Chicory root, roasted 1b 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.02%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.03%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.03%
Cassie absolute 1a extract 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.5%