P-Xylene

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    106-42-3

    Molecular formula
    C8H10

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

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1148.0

  • Odor profile

    Sweet 58.63%
    Floral 42.26%
    Woody 39.47%
    Green 36.88%
    Phenolic 33.37%
    Pungent 32.7%
    Oily 31.29%
    Camphoreous 31.01%
    Earthy 29.37%
    Musty 29.06%

    Scent© AI

    Odor threshold>

    • Odor Threshold Low: 0.05 [mmHg]. Odor threshold from CHRIS
    • Detection in air at 0.05 ppm.

  • Properties

    XLogP3-AA
    3.2

    Molecular weight
    106.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • 55.9 °F (NTP, 1992)
    • 13.3 °C
    • 13 °C
    • 56 °F

    Boiling point

    • 280.9 °F at 760 mmHg (NTP, 1992)
    • 138.3 °C
    • p-Xylene and m-xylene cannot be separated by distillation because their boiling points are too close.
    • 138 °C
    • 281 °F

    Flash point est.
    28.19 ˚C

    Flash point expt.

    • 81 °F (NTP, 1992)
    • 25.0 °C (77.0 °F) - closed cup
    • 77 °F (25 °C) (Closed cup)
    • 25 °C c.c.
    • 81 °F

    Solubility expt.

    • Insoluble. (NTP, 1992)
    • In water, 1.62X10+2 mg/L at 25 °C
    • In water, 165 mg/L at 25 °C (average of 15 literature values ranging from 130-215 mg/L at 25 °C)
    • Miscible in alcohol, ether, acetone, benzene; soluble in chloroform
    • Solubility in water, g/l at 25 °C: 0.2 (very slightly soluble)
    • 0.02%

  • Synonyms

    • P-XYLENE
    • 1,4-Dimethylbenzene
    • Para-Xylene
    • 106-42-3
    • 1,4-Xylene
    • p-Methyltoluene
    • p-Dimethylbenzene
    • p-Xylol
    • Benzene, 1,4-dimethyl-
    • 4-Xylene
    • 4-Methyltoluene
    • Chromar
    • Scintillar
    • 1,4-Dimethylbenzol
    • paraxylene
    • CCRIS 910
    • NSC 72419
    • HSDB 136
    • EINECS 203-396-5
    • UNII-6WAC1O477V
    • 6WAC1O477V
    • DTXSID2021868
    • CHEBI:27417
    • AI3-52255
    • MFCD00008556
    • NSC-72419
    • CHEMBL31561
    • p-Xylene-alpha,alpha'-13C2
    • DTXCID701868
    • EC 203-396-5
    • Xylene, p-
    • Benzene, p-dimethyl-
    • p-Xylenes
    • Xylene, p-isomer
    • PXY
    • p-Xylol (DOT)
    • 1,4-dimethyl benzene
    • 1,4-dimethyl-benzene
    • P-XYLENE [MI]
    • 4-XYLENE [HSDB]
    • bmse000834
    • p-Xylene, analytical standard
    • BENZENE,1,4-DIMETHYL
    • WLN: 1R D1
    • p-Xylene, anhydrous, >=99%
    • p-Xylene, for synthesis, 99%
    • 187l
    • p-Xylene, for HPLC, >=99%
    • p-Xylene, ReagentPlus(R), 99%
    • NSC72419
    • p-Xylene 10 microg/mL in Methanol
    • Tox21_201113
    • BDBM50008567
    • Benzene, 1,2(or 1,4)-dimethyl-
    • c0083
    • STL264212
    • AKOS000121124
    • p-Xylene 5000 microg/mL in Methanol
    • p-Xylene, purum, >=98.0% (GC)
    • MSK000212-1000M
    • NCGC00091661-01
    • NCGC00091661-02
    • NCGC00258665-01
    • CAS-106-42-3
    • p-Xylene, SAJ first grade, >=99.0%
    • p-Xylene [UN1307] [Flammable liquid]
    • p-Xylene, SAJ special grade, >=99.0%
    • p-xylene Solution in Methanol, 1000ug/mL
    • NS00001217
    • S0649
    • X0014
    • X0044
    • EN300-24549
    • p-Xylene, puriss. p.a., >=99.0% (GC)
    • C06756
    • Q3314420
    • F0001-0120
    • Z199056432
    • InChI=1/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H
    • p-Xylene, Pharmaceutical Secondary Standard; Certified Reference Material
    • 136777-61-2
    • 203-396-5

  • Applications

    p-Xylene (1,4-dimethylbenzene, CAS 106-42-3) is used predominantly as a feedstock for catalytic oxidation to terephthalic acid (PTA) or dimethyl terephthalate (DMT), the key monomers for producing poly(ethylene terephthalate) (PET) resins and polyester fibers used in beverage bottles, food packaging, films, textiles, nonwovens, and engineering plastics; derivatives from PTA/DMT also include terephthaloyl chloride for high-performance polymers such as aramids, and polyester resins for coatings and powder coatings; additionally, as part of the mixed xylenes pool, p-xylene contributes to high-octane gasoline blending and solvent uses in paints, inks, and adhesives (though it is often separated for oxidation due to its higher value), and it serves as an intermediate to p-toluic acid and other aromatics, as well as a model compound in xylene-isomer separation and petrochemical process R&D.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 110.89
    methanol 58.05
    isopropanol 130.3
    water 0.14
    ethyl acetate 429.27
    n-propanol 147.7
    acetone 421.07
    n-butanol 151.06
    acetonitrile 236.39
    DMF 463.41
    toluene 252.45
    isobutanol 127.9
    1,4-dioxane 549.35
    methyl acetate 432.43
    THF 768.31
    2-butanone 494.7
    n-pentanol 131.16
    sec-butanol 183.7
    n-hexane 258.13
    ethylene glycol 22.73
    NMP 425.7
    cyclohexane 145.9
    DMSO 268.45
    n-butyl acetate 500.06
    n-octanol 172.32
    chloroform 803.6
    n-propyl acetate 285.67
    acetic acid 76.22
    dichloromethane 667.11
    cyclohexanone 479.69
    propylene glycol 54.43
    isopropyl acetate 316.59
    DMAc 507.0
    2-ethoxyethanol 156.54
    isopentanol 155.74
    n-heptane 239.33
    ethyl formate 153.66
    1,2-dichloroethane 485.61
    n-hexanol 292.45
    2-methoxyethanol 180.62
    isobutyl acetate 261.07
    tetrachloromethane 188.08
    n-pentyl acetate 220.07
    transcutol 505.59
    n-heptanol 151.21
    ethylbenzene 260.6
    MIBK 296.69
    2-propoxyethanol 345.59
    tert-butanol 210.28
    MTBE 444.88
    2-butoxyethanol 198.15
    propionic acid 136.18
    o-xylene 208.03
    formic acid 12.36
    diethyl ether 414.89
    m-xylene 210.23
    p-xylene 299.62
    chlorobenzene 278.05
    dimethyl carbonate 191.9
    n-octane 110.2
    formamide 31.87
    cyclopentanone 643.78
    2-pentanone 386.33
    anisole 407.56
    cyclopentyl methyl ether 444.62
    gamma-butyrolactone 547.51
    1-methoxy-2-propanol 225.34
    pyridine 412.91
    3-pentanone 405.64
    furfural 365.28
    n-dodecane 74.05
    diethylene glycol 137.05
    diisopropyl ether 224.09
    tert-amyl alcohol 235.38
    acetylacetone 416.35
    n-hexadecane 82.91
    acetophenone 306.79
    methyl propionate 371.66
    isopentyl acetate 422.65
    trichloroethylene 795.39
    n-nonanol 164.39
    cyclohexanol 147.57
    benzyl alcohol 155.51
    2-ethylhexanol 268.81
    isooctanol 137.86
    dipropyl ether 585.88
    1,2-dichlorobenzene 289.68
    ethyl lactate 131.47
    propylene carbonate 336.59
    n-methylformamide 129.57
    2-pentanol 158.69
    n-pentane 123.06
    1-propoxy-2-propanol 364.66
    1-methoxy-2-propyl acetate 427.2
    2-(2-methoxypropoxy) propanol 268.19
    mesitylene 167.66
    ε-caprolactone 387.8
    p-cymene 216.29
    epichlorohydrin 631.51
    1,1,1-trichloroethane 655.54
    2-aminoethanol 52.69
    morpholine-4-carbaldehyde 425.67
    sulfolane 525.81
    2,2,4-trimethylpentane 80.27
    2-methyltetrahydrofuran 594.59
    n-hexyl acetate 353.69
    isooctane 77.12
    2-(2-butoxyethoxy)ethanol 298.08
    sec-butyl acetate 268.8
    tert-butyl acetate 374.1
    decalin 143.62
    glycerin 57.64
    diglyme 528.34
    acrylic acid 105.99
    isopropyl myristate 229.34
    n-butyric acid 181.12
    acetyl acetate 271.05
    di(2-ethylhexyl) phthalate 138.3
    ethyl propionate 324.91
    nitromethane 227.43
    1,2-diethoxyethane 450.3
    benzonitrile 217.11
    trioctyl phosphate 110.93
    1-bromopropane 446.09
    gamma-valerolactone 540.41
    n-decanol 139.99
    triethyl phosphate 205.52
    4-methyl-2-pentanol 129.16
    propionitrile 279.69
    vinylene carbonate 270.14
    1,1,2-trichlorotrifluoroethane 307.22
    DMS 308.63
    cumene 210.69
    2-octanol 130.73
    2-hexanone 377.91
    octyl acetate 245.1
    limonene 293.83
    1,2-dimethoxyethane 455.51
    ethyl orthosilicate 210.84
    tributyl phosphate 142.89
    diacetone alcohol 292.44
    N,N-dimethylaniline 318.17
    acrylonitrile 280.7
    aniline 170.01
    1,3-propanediol 76.43
    bromobenzene 371.03
    dibromomethane 517.07
    1,1,2,2-tetrachloroethane 669.46
    2-methyl-cyclohexyl acetate 320.4
    tetrabutyl urea 185.57
    diisobutyl methanol 203.55
    2-phenylethanol 236.65
    styrene 274.79
    dioctyl adipate 241.71
    dimethyl sulfate 259.27
    ethyl butyrate 408.7
    methyl lactate 145.49
    butyl lactate 148.47
    diethyl carbonate 272.1
    propanediol butyl ether 144.78
    triethyl orthoformate 286.14
    p-tert-butyltoluene 222.35
    methyl 4-tert-butylbenzoate 301.18
    morpholine 462.9
    tert-butylamine 176.05
    n-dodecanol 125.63
    dimethoxymethane 323.79
    ethylene carbonate 233.06
    cyrene 211.7
    2-ethoxyethyl acetate 272.22
    2-ethylhexyl acetate 392.48
    1,2,4-trichlorobenzene 338.12
    4-methylpyridine 394.69
    dibutyl ether 402.9
    2,6-dimethyl-4-heptanol 203.55
    DEF 413.78
    dimethyl isosorbide 491.03
    tetrachloroethylene 365.07
    eugenol 243.5
    triacetin 297.22
    span 80 222.47
    1,4-butanediol 41.13
    1,1-dichloroethane 558.63
    2-methyl-1-pentanol 150.14
    methyl formate 119.54
    2-methyl-1-butanol 160.42
    n-decane 112.42
    butyronitrile 257.7
    3,7-dimethyl-1-octanol 200.91
    1-chlorooctane 266.86
    1-chlorotetradecane 134.97
    n-nonane 126.22
    undecane 87.66
    tert-butylcyclohexane 166.62
    cyclooctane 98.43
    cyclopentanol 175.93
    tetrahydropyran 526.85
    tert-amyl methyl ether 380.25
    2,5,8-trioxanonane 411.88
    1-hexene 413.14
    2-isopropoxyethanol 171.58
    2,2,2-trifluoroethanol 45.24
    methyl butyrate 368.19

    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
Santolina chamaecyparisus (France) 2 84961-58-0 Santolina chamaecyparisus L., fam. Asteraceae (Compositae) 0.01%
Guava fruit (Nigeria) 91770-12-6 Psidium guajava L., fam. Myrtaceae 0.4%
Ylang Ylang (China) 2a 8006-81-5 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.48%
Michelia yunnanensis flower headspace (China) Michelia yunnanensis Franch. ex Finet et Gagnep., fam. Magnoliaceae 0.17%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%
Cordia nitida fruit Cordia nitida Vahl., fam. Borraginaceae 0.5%
Patchouli (China) 3b rhizome 8014-09-3 Pogostemon cablin Benth., fam. Lamiaceae (Labiatae) 0.04%
Osage orange fruit, 1b steamdistilled Maclura pomifera (Raf.) Schneid, fam. Moraceae 0.5%