Toluene

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  • Identifiers

    CAS number
    108-88-3

    Molecular formula
    C7H8

    SMILES
    CC1=CC=CC=C1

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Retention indicies (RI)

    • DB5: 771.0
    • Carbowax: 1033.29

  • Odor profile

    Sweet 73.15%
    Pungent 36.33%
    Floral 35.27%
    Green 34.17%
    Camphoreous 30.33%
    Woody 30.29%
    Rose 28.97%
    Phenolic 28.81%
    Metallic 28.77%
    Oily 28.28%

    Scent© AI

    Odor threshold>

    • Odor Threshold Low: 0.16 [mmHg]. Odor Threshold High: 37.0 [mmHg]. Detection odor threshold from AIHA (mean = 1.6 ppm)
    • 2.14 ppm (8 mg/cu m). Odor recognition level is reported as 1.03 to 140 ug/cu m.
    • Odor in air= 1.30x10+11 mol/cu cm

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    92.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -139 °F (NTP, 1992)
    • -94.9 °C
    • -95 °C
    • -139 °F

    Boiling point

    • 231.1 °F at 760 mmHg (NTP, 1992)
    • 110.6 °C
    • 110.00 to 111.00 °C. @ 760.00 mm Hg
    • 111 °C
    • 232 °F

    Flash point est.
    6.44 ˚C

    Flash point expt.

    • 40 °F (NTP, 1992)
    • 4.4 °C
    • 4.0 °C (39.2 °F) - closed cup
    • 4.4 dec C (closed cup)
    • 40 °F (4 °C) (Closed cup)
    • 4 °C c.c.
    • 40 °F

    Solubility expt.

    • less than 1 mg/mL at 64 °F (NTP, 1992)
    • 526 mg/L (at 25 °C)
    • In water, 526 mg/L at 25 °C
    • Miscible with alcohol, chloroform, ether, acetone, glacial acetic acid, carbon disulfide
    • Soluble in ethanol, benzene, diethyl ether, acetone, chloroform, glacial acetic acid and carbon disulfide
    • 0.526 mg/mL at 25 °C
    • Solubility in water: none
    • (74 °F): 0.07%

  • Synonyms

    • toluene
    • methylbenzene
    • 108-88-3
    • toluol
    • Phenylmethane
    • methacide
    • methylbenzol
    • Benzene, methyl-
    • antisal 1a
    • Toluen
    • tolu-sol
    • Methane, phenyl-
    • Tolueen
    • Toluolo
    • phenyl methane
    • 1-Methylbenzene
    • monomethyl benzene
    • RCRA waste number U220
    • Tolueno
    • methyl-Benzene
    • Caswell No. 859
    • p-toluene
    • NCI-C07272
    • CP 25
    • CCRIS 2366
    • HSDB 131
    • NSC 406333
    • UN 1294
    • 4-methylbenzene
    • Benzene, methyl
    • EINECS 203-625-9
    • UNII-3FPU23BG52
    • EPA Pesticide Chemical Code 080601
    • NSC-406333
    • 3FPU23BG52
    • DTXSID7021360
    • CHEBI:17578
    • TOLUENE-3,5-D2
    • AI3-02261
    • MFCD00008512
    • CHEMBL9113
    • DTXCID501360
    • EC 203-625-9
    • Toluene, anhydrous
    • NCGC00090939-02
    • TOLUENE (IARC)
    • TOLUENE [IARC]
    • TOLUENE (MART.)
    • TOLUENE [MART.]
    • TOLUENE (USP-RS)
    • TOLUENE [USP-RS]
    • Tolueen [Dutch]
    • Toluen [Czech]
    • Toluene, analytical standard
    • Tolueno [Spanish]
    • Toluolo [Italian]
    • TOLUENE (RING-D5)
    • Toluene (Ring-D5, 98%)
    • methyl benzene
    • para-toluene
    • Methyl benzol
    • Toluene, ACS reagent, >=99.5%
    • Toluene 1000 microg/mL in Methanol
    • CAS-108-88-3
    • RAMIPRIL IMPURITY G (EP IMPURITY)
    • RAMIPRIL IMPURITY G [EP IMPURITY]
    • PHME
    • TOLUENE (RING-13C6, 99%)
    • UN1294
    • RCRA waste no. U220
    • methylbenzenes
    • Dracyl
    • phenyl-methane
    • toluene solvent
    • 2-methylbenzene
    • toluene-
    • Methylbenzene; Toluene; Ramipril Imp. G (EP); Ramipril Impurity G
    • MePh
    • 2-methyl benzene
    • 4-methyl-benzene
    • Toluene ACS Grade
    • Toluene-13C
    • Toluene HPLC grade
    • Methylbenzene, 9CI
    • Toluene (Technical)
    • Toluene, for HPLC
    • PhCH3
    • Toluene, ACS reagent
    • Toluene, HPLC Grade
    • 4i7k
    • TOLUENE [HSDB]
    • Toluene, 99.5%
    • TOLUENE [MI]
    • CP 25 (SOLVENT)
    • Toluene, Environmental Grade
    • Toluene, Semiconductor Grade
    • Toluene, LR, >=99%
    • C6H5CH3
    • TOLUENE [GREEN BOOK]
    • WLN: 1R
    • BIDD:ER0288
    • Toluene, anhydrous, 99.8%
    • Toluene, ASTM, 99.5%
    • Toluene, p.a., 99.5%
    • GTPL5481
    • Toluene, AR, >=99.5%
    • Toluene, for HPLC, 99.9%
    • Toluene, LR, rectified, 99%
    • CHEBI:38975
    • DTXSID50175878
    • Toluene (Methyl-13C, 99%)
    • Toluene, HPLC grade, 99.8%
    • Toluene, Spectrophotometric Grade
    • Toluene 10 microg/mL in Methanol
    • Toluene, LR, sulfur free, 99%
    • Toluene, AR, rectified, 99.5%
    • Toluene, technical grade, 95.0%
    • BCP16202
    • GAA93323
    • MLA39935
    • RAA95438
    • Toluene, for HPLC, >=99.8%
    • Toluene, for HPLC, >=99.9%
    • Toluene, histology grade, practical
    • Toluene 100 microg/mL in Methanol
    • Tox21_111042
    • Tox21_201224
    • BDBM50008558

  • Applications

    Toluene (CAS 108-88-3) is a widely used aromatic solvent for paints, varnishes, coatings, inks, industrial cleaners and adhesives, dissolving resins, oils, rubber and many polymers, serving as a paint thinner, surface cleaner and metal degreaser in printing, leather finishing, tire and tape manufacturing; in petrochemicals it functions as both process solvent and feedstock, enabling production of benzoic acid and benzoates, benzaldehyde, toluene diisocyanate (TDI) for polyurethanes, toluene sulfonates, and benzene/xylenes via conversion processes, and it is a common reaction solvent/azeotropic drying medium in laboratories; in fuels, toluene is blended into gasoline to raise octane and is used in certain high-performance fuels; in pharmaceuticals and agrochemicals it serves as a process solvent and crystallization medium as well as an aromatic intermediate; in electronics and precision manufacturing it is used to clean polymers, solder flux and greases, and in the production of inks, sealants, silicones and synthetic resins; additional niche uses include its role as a precursor in the manufacture of dyes and explosives (e.g., TNT) at industrial scale, with applications generally subject to stringent regulation because toluene is a volatile organic compound that is flammable and has occupational exposure limits.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 646.24
    methanol 464.21
    isopropanol 344.42
    water 0.37
    ethyl acetate 1555.26
    n-propanol 537.36
    acetone 557.9
    n-butanol 574.1
    acetonitrile 638.25
    DMF 335.41
    toluene 516.45
    isobutanol 266.37
    1,4-dioxane 1504.4
    methyl acetate 816.09
    THF 1525.76
    2-butanone 778.4
    n-pentanol 466.92
    sec-butanol 411.16
    n-hexane 469.95
    ethylene glycol 49.89
    NMP 410.62
    cyclohexane 335.2
    DMSO 370.17
    n-butyl acetate 1676.14
    n-octanol 213.51
    chloroform 1892.67
    n-propyl acetate 717.87
    acetic acid 365.15
    dichloromethane 1685.13
    cyclohexanone 817.15
    propylene glycol 87.94
    isopropyl acetate 709.82
    DMAc 362.72
    2-ethoxyethanol 451.53
    isopentanol 362.35
    n-heptane 487.09
    ethyl formate 460.25
    1,2-dichloroethane 1002.29
    n-hexanol 813.68
    2-methoxyethanol 543.76
    isobutyl acetate 394.12
    tetrachloromethane 390.74
    n-pentyl acetate 450.98
    transcutol 1705.63
    n-heptanol 242.15
    ethylbenzene 236.88
    MIBK 396.64
    2-propoxyethanol 877.28
    tert-butanol 361.43
    MTBE 679.79
    2-butoxyethanol 349.11
    propionic acid 399.46
    o-xylene 232.05
    formic acid 76.03
    diethyl ether 1755.04
    m-xylene 279.75
    p-xylene 233.35
    chlorobenzene 483.09
    dimethyl carbonate 186.1
    n-octane 115.5
    formamide 123.85
    cyclopentanone 752.25
    2-pentanone 793.86
    anisole 431.82
    cyclopentyl methyl ether 875.4
    gamma-butyrolactone 743.57
    1-methoxy-2-propanol 443.03
    pyridine 896.39
    3-pentanone 705.62
    furfural 552.81
    n-dodecane 55.74
    diethylene glycol 317.98
    diisopropyl ether 428.24
    tert-amyl alcohol 372.75
    acetylacetone 550.91
    n-hexadecane 62.43
    acetophenone 284.6
    methyl propionate 723.52
    isopentyl acetate 942.2
    trichloroethylene 1302.89
    n-nonanol 208.87
    cyclohexanol 368.18
    benzyl alcohol 212.44
    2-ethylhexanol 608.89
    isooctanol 188.61
    dipropyl ether 1639.06
    1,2-dichlorobenzene 352.51
    ethyl lactate 151.36
    propylene carbonate 450.75
    n-methylformamide 225.84
    2-pentanol 429.53
    n-pentane 320.88
    1-propoxy-2-propanol 832.68
    1-methoxy-2-propyl acetate 796.92
    2-(2-methoxypropoxy) propanol 317.14
    mesitylene 159.99
    ε-caprolactone 817.9
    p-cymene 191.38
    epichlorohydrin 1012.39
    1,1,1-trichloroethane 939.52
    2-aminoethanol 150.14
    morpholine-4-carbaldehyde 665.51
    sulfolane 489.35
    2,2,4-trimethylpentane 94.77
    2-methyltetrahydrofuran 1253.05
    n-hexyl acetate 472.78
    isooctane 86.07
    2-(2-butoxyethoxy)ethanol 478.32
    sec-butyl acetate 470.84
    tert-butyl acetate 542.42
    decalin 128.08
    glycerin 98.37
    diglyme 870.7
    acrylic acid 234.96
    isopropyl myristate 208.1
    n-butyric acid 705.86
    acetyl acetate 614.22
    di(2-ethylhexyl) phthalate 121.62
    ethyl propionate 672.88
    nitromethane 555.24
    1,2-diethoxyethane 1535.11
    benzonitrile 366.93
    trioctyl phosphate 92.33
    1-bromopropane 1119.77
    gamma-valerolactone 835.63
    n-decanol 165.58
    triethyl phosphate 225.2
    4-methyl-2-pentanol 206.22
    propionitrile 618.48
    vinylene carbonate 408.01
    1,1,2-trichlorotrifluoroethane 414.8
    DMS 319.07
    cumene 141.06
    2-octanol 153.71
    2-hexanone 651.16
    octyl acetate 245.82
    limonene 364.64
    1,2-dimethoxyethane 846.45
    ethyl orthosilicate 254.48
    tributyl phosphate 141.61
    diacetone alcohol 348.48
    N,N-dimethylaniline 221.32
    acrylonitrile 513.2
    aniline 391.16
    1,3-propanediol 246.71
    bromobenzene 557.18
    dibromomethane 1330.63
    1,1,2,2-tetrachloroethane 1008.89
    2-methyl-cyclohexyl acetate 424.44
    tetrabutyl urea 169.6
    diisobutyl methanol 281.75
    2-phenylethanol 366.38
    styrene 324.95
    dioctyl adipate 229.29
    dimethyl sulfate 185.57
    ethyl butyrate 1074.27
    methyl lactate 155.64
    butyl lactate 196.22
    diethyl carbonate 483.71
    propanediol butyl ether 187.21
    triethyl orthoformate 584.6
    p-tert-butyltoluene 176.28
    methyl 4-tert-butylbenzoate 208.27
    morpholine 1400.15
    tert-butylamine 310.29
    n-dodecanol 141.97
    dimethoxymethane 526.23
    ethylene carbonate 400.33
    cyrene 179.17
    2-ethoxyethyl acetate 564.31
    2-ethylhexyl acetate 856.2
    1,2,4-trichlorobenzene 404.6
    4-methylpyridine 768.46
    dibutyl ether 749.58
    2,6-dimethyl-4-heptanol 281.75
    DEF 824.76
    dimethyl isosorbide 518.65
    tetrachloroethylene 656.1
    eugenol 198.13
    triacetin 310.5
    span 80 267.42
    1,4-butanediol 88.33
    1,1-dichloroethane 1045.43
    2-methyl-1-pentanol 354.68
    methyl formate 152.69
    2-methyl-1-butanol 361.21
    n-decane 103.98
    butyronitrile 786.82
    3,7-dimethyl-1-octanol 279.49
    1-chlorooctane 271.79
    1-chlorotetradecane 104.17
    n-nonane 116.08
    undecane 71.35
    tert-butylcyclohexane 129.31
    cyclooctane 154.12
    cyclopentanol 313.74
    tetrahydropyran 1506.72
    tert-amyl methyl ether 570.04
    2,5,8-trioxanonane 576.22
    1-hexene 941.15
    2-isopropoxyethanol 347.24
    2,2,2-trifluoroethanol 91.17
    methyl butyrate 690.03

    Scent© AI

1 4

IFRA standard 51

Recommendation
Prohibition / Specification
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 See notebox Category 7A
Rinse-off products applied to the hair with some hand contact
 See notebox
Category 2
Products applied to the axillae
 See notebox Category 7B
Leave-on products applied to the hair with some hand contact
 See notebox
Category 3
Products applied to the face/body using fingertips
 See notebox Category 8
Products with significant anogenital exposure
 See notebox
Category 4
Products related to fine fragrance
 See notebox Category 9
Products with body and hand exposure, primarily rinse off
 See notebox
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 See notebox Category 10A
Household care products with mostly hand contact
 See notebox
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 See notebox Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 See notebox
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 See notebox Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 See notebox
Category 5D
Baby Creams, baby Oils and baby talc
 See notebox Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 See notebox
Category 6
Products with oral and lip exposure
 See notebox Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 See notebox

Prohibition
Toluene should not be used as a fragrance ingredient.

Specification
The level of Toluene has to be kept as low as practicable and should never exceed 100 ppm in the fragrance compound/mixture or fragrance oil.

Botanical

Name CAS Botanical Proportion
Carrot seed (France) 1 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 0.01%
Ginger (Australia) 1 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.15%
Ginger (India) 3 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.09%
Lemon balm 4 ssp. altimissia 8014-71-9 Melissa officinalis L. ssp.altissima (Sibthr. et Smith) Arcang., Lamiaceae 0.5%
Mentha spicata (Greece) Chemotype I Mentha spicata L. (Chemotype I), fam. Lamiaceae (Labiatae) 0.01%
Myrtle leaf (Morocco) 1 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.05%
Etrog, peel Citrus medica L., cultivar ethrog Engl., fam. Rutaceae 0.01%
Guava fruit (Nigeria) 91770-12-6 Psidium guajava L., fam. Myrtaceae 8.27%
Cilantro (Coriander leaf) 1 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 1.17%
Tagetes 2 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.02%
Thyme red (Spain) 3 8007-46-3 Thymus zygis L., fam. Lamiaceae (Labiatae) 0.01%
Pear (Japan), Asian Pyrus serotina Rehder (Asian pear), cultivar Chojui, fam. Rosaceae 4.03%
Agarwood smoke 1 Aquilaria agallocha Roxb., fam. Thymelaeaceae 0.12%
Agarwood smoke 2 Aquilaria agallocha Roxb., fam. Thymelaeaceae 0.19%
Lemon leaf (petitgrain) 2 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.01%
Lemon leaf (petitgrain) (Russia) 84929-31-7 Citrus limon (L.) Burm. f., fam. Rutaceae 0.02%
Meyer lemon leaf (Russia) 1 Citrus limon x Citrus sinensis, fam. Rutaceae 0.06%
Ylang Ylang (China) 2a 8006-81-5 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 2.92%
Mimusops elengi flower headspace Mimusops elengi L., fam. Sapotaceae 0.4%
Dill herb (Cuba) 8006-75-5 Anethum graveolens L., fam. Apiaceae (Umbelliferae) 0.05%
Hedyotis diffusa (Malaysia) Hedyotis diffusa Willd. (syn. Oldenlandia diffusa Roxb.), fam. Rubiaceae 0.3%
Bitter orange flower headspace (China) Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 0.1%
Phaeomeria speciosa Phaeomeria speciosa Koord., (Etlingera elatior (Jack) R.M. Smith), Zingib. 0.1%
Dill herb (Reunion Island) 8006-75-5 Anethum graveolens L., fam. Apiaceae (Umbelliferae) 0.2%
Kewda (India) Pandanus fascicularis Lam., var. fascilarris, fam. Pandanaceae 0.01%
Curcuma aromatica (India) 2a leaf Curcuma aromatica Salisb., fam. Zingiberaceae 0.05%
Turmeric (Bhutan) 1b leaf 8024-37-1 Curcuma longa L. (C. domestica Val.), fam. Zingiberaceae 0.05%
Chicory root, roasted 1a 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.01%
Chicory root, roasted 1b 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.07%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.05%
Eucalyptus dives (Rwanda) 90028-48-1 Eucalyptus dives Schau., fam. Myrtaceae 0.01%
Truffle, Asian Tuber indicum Cooke et Mass. (T. himalayense Zhang-Minter),fam.Ascomycetae 1.0%
Patchouli (China) 3a root 8014-09-3 Pogostemon cablin Benth., fam. Lamiaceae (Labiatae) 0.02%
Patchouli (China) 3b rhizome 8014-09-3 Pogostemon cablin Benth., fam. Lamiaceae (Labiatae) 0.05%
Asafoetida headspace 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.01%