O-Xylene

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    95-47-6

    Molecular formula
    C8H10

    SMILES
    CC1=CC=CC=C1C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 892.0
    • Carbowax: 1179.29

  • Odor profile

    Woody 33.58%
    Phenolic 33.06%
    Sweet 31.33%
    Spicy 28.05%
    Earthy 27.87%
    Medicinal 27.65%
    Musty 27.56%
    Gassy 27.09%
    Camphoreous 26.85%
    Citrus 26.35%

    Scent© AI

    Odor threshold>

    • 0.05 ppm
    • 1.8 ppm in water

  • Properties

    XLogP3-AA
    3.1

    Molecular weight
    106.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -13 to -9 °F (NTP, 1992)
    • -25.16 °C
    • -25 °C
    • -13 °F

    Boiling point

    • 289 to 293 °F at 760 mmHg (NTP, 1992)
    • 144.5 °C
    • 144 °C
    • 292 °F

    Flash point est.
    25.3 ˚C

    Flash point expt.

    • 63 °F (NTP, 1992)
    • 31.0 °C (87.8 °F) - closed cup
    • 63 °F; 17 °C (Closed cup)
    • 30 °C c.c.
    • 90 °F

    Solubility expt.

    • Insoluble (NTP, 1992)
    • In water, 1.78X10+2 mg/L at 25 °C
    • In water, 180 mg/L at 25 °C (average of 16 literature values ranging from 167-221 mg/L at 25 °C)
    • Miscible with ethanol, ethyl ether, acetone, petroleum ether, benzene, carbon tetrachloride
    • Soluble with most organic solvents.
    • Solubility in water, g/l at 20 °C: 0.18 (very slightly soluble)
    • 0.02%

  • Synonyms

    • O-XYLENE
    • 1,2-Dimethylbenzene
    • 1,2-Xylene
    • 95-47-6
    • Ortho-Xylene
    • Xylene
    • o-Xylol
    • o-Methyltoluene
    • 2-Xylene
    • o-Dimethylbenzene
    • Benzene, 1,2-dimethyl-
    • 3,4-Xylene
    • 1,2-Dimethylbenzol
    • o-Xylenes
    • Xylene, o-
    • Benzene, o-dimethyl-
    • 2-Methyltoluene
    • Benzene, dimethyl-
    • orthoxylene
    • NSC 60920
    • DTXSID3021807
    • CHEBI:28063
    • o-Xylene-dimethyl-13C2
    • MFCD00008519
    • NSC-60920
    • 1,2-XYLOL
    • BENZENE,1,2-DIMETHYL
    • CHEMBL45005
    • DTXCID501807
    • Z2474E14QP
    • Dimethylbenzene
    • CCRIS 905
    • HSDB 134
    • EINECS 202-422-2
    • UNII-Z2474E14QP
    • dimethyl benzene
    • dimethyl-benzene
    • AI3-08197
    • Xylenes ACS
    • Xylene, o-isomer
    • 1,2-dimethyl-benzene
    • o-Xylene, HPLC Grade
    • O-XYLENE [MI]
    • 2-XYLENE [HSDB]
    • bmse000526
    • EC 202-422-2
    • o-Xylene, anhydrous, 97%
    • o-Xylene, analytical standard
    • o-Xylene, for HPLC, 98%
    • WLN: 1R B1
    • o-Xylene, for synthesis, 98%
    • DTXSID10178042
    • 188l
    • o-Xylene, Spectrophotometric Grade
    • NSC60920
    • o-Xylene 10 microg/mL in Methanol
    • Tox21_200658
    • BDBM50008560
    • STL264206
    • o-Xylene 100 microg/mL in Methanol
    • AKOS000269058
    • o-Xylene, reagent grade, >=98.0%
    • CAS-95-47-6
    • NCGC00091662-01
    • NCGC00091662-02
    • NCGC00091662-03
    • NCGC00258212-01
    • o-Xylene, spectrophotometric grade, 98%
    • BS-20678
    • o-Xylene [UN1307] [Flammable liquid]
    • o-Xylene, SAJ special grade, >=98.5%
    • DB-257286
    • NS00007915
    • S0650
    • X0012
    • EN300-25617
    • o-Xylene, puriss. p.a., >=99.0% (GC)
    • C07212
    • Q2988108
    • F1908-0112
    • InChI=1/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H
    • o-Xylene, Pharmaceutical Secondary Standard; Certified Reference Material
    • 202-422-2
    • Xy

  • Applications

    O-Xylene (o-xylene, 1,2-dimethylbenzene; CAS 95-47-6) is a key petrochemical feedstock, most prominently oxidized to phthalic anhydride, which underpins the manufacture of orthophthalate plasticizers, alkyds and unsaturated polyester resins, polyester polyols, and certain anhydride curing agents for epoxy systems; through these downstream products it enables coatings and varnishes, powder coatings, paint and ink solvents, adhesives and sealants, fiberglass-reinforced composites, flexible plastics such as soft PVC, artificial leather and cable compounds; additionally, o-xylene serves as a high-boiling aromatic solvent in coating, ink and adhesive formulations and in industrial cleaning/degreasing operations, as a carrier in some agrochemical and lubricant additive packages, and as an intermediate toward dyes, pigments (including phthalocyanines), flavors and fragrances, as well as numerous pharmaceutical and crop-protection intermediates; in refining and petrochemical operations it is part of mixed xylene streams used for gasoline blending to raise octane or separated for dedicated use, and in laboratories it functions as a medium-to-high-boiling reaction solvent for Friedel–Crafts transformations, polymerizations, and purification/extraction steps.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 87.37
    methanol 88.49
    isopropanol 55.99
    water 0.28
    ethyl acetate 278.17
    n-propanol 96.73
    acetone 116.33
    n-butanol 100.27
    acetonitrile 158.82
    DMF 153.4
    toluene 186.65
    isobutanol 57.93
    1,4-dioxane 439.73
    methyl acetate 203.38
    THF 504.13
    2-butanone 196.82
    n-pentanol 85.88
    sec-butanol 80.97
    n-hexane 141.99
    ethylene glycol 9.65
    NMP 227.86
    cyclohexane 108.37
    DMSO 99.19
    n-butyl acetate 316.51
    n-octanol 55.11
    chloroform 730.68
    n-propyl acetate 175.57
    acetic acid 71.34
    dichloromethane 654.67
    cyclohexanone 253.67
    propylene glycol 14.57
    isopropyl acetate 168.25
    DMAc 189.12
    2-ethoxyethanol 109.2
    isopentanol 77.47
    n-heptane 125.19
    ethyl formate 121.01
    1,2-dichloroethane 404.5
    n-hexanol 145.66
    2-methoxyethanol 123.98
    isobutyl acetate 115.04
    tetrachloromethane 197.38
    n-pentyl acetate 139.6
    transcutol 406.84
    n-heptanol 65.6
    ethylbenzene 124.23
    MIBK 116.87
    2-propoxyethanol 195.64
    tert-butanol 83.42
    MTBE 195.32
    2-butoxyethanol 105.47
    propionic acid 84.17
    o-xylene 122.64
    formic acid 21.52
    diethyl ether 383.55
    m-xylene 121.4
    p-xylene 132.09
    chlorobenzene 213.25
    dimethyl carbonate 72.52
    n-octane 42.17
    formamide 45.2
    cyclopentanone 293.95
    2-pentanone 180.68
    anisole 221.25
    cyclopentyl methyl ether 287.62
    gamma-butyrolactone 300.66
    1-methoxy-2-propanol 99.12
    pyridine 324.15
    3-pentanone 200.06
    furfural 247.89
    n-dodecane 20.91
    diethylene glycol 69.08
    diisopropyl ether 117.82
    tert-amyl alcohol 101.07
    acetylacetone 155.75
    n-hexadecane 24.28
    acetophenone 155.06
    methyl propionate 186.38
    isopentyl acetate 234.61
    trichloroethylene 583.64
    n-nonanol 60.18
    cyclohexanol 88.42
    benzyl alcohol 86.69
    2-ethylhexanol 120.57
    isooctanol 57.23
    dipropyl ether 379.86
    1,2-dichlorobenzene 217.42
    ethyl lactate 47.59
    propylene carbonate 174.0
    n-methylformamide 81.18
    2-pentanol 79.17
    n-pentane 85.13
    1-propoxy-2-propanol 162.49
    1-methoxy-2-propyl acetate 217.19
    2-(2-methoxypropoxy) propanol 115.24
    mesitylene 91.54
    ε-caprolactone 247.72
    p-cymene 94.05
    epichlorohydrin 377.39
    1,1,1-trichloroethane 446.44
    2-aminoethanol 29.26
    morpholine-4-carbaldehyde 247.39
    sulfolane 241.32
    2,2,4-trimethylpentane 39.78
    2-methyltetrahydrofuran 369.35
    n-hexyl acetate 152.45
    isooctane 31.86
    2-(2-butoxyethoxy)ethanol 145.9
    sec-butyl acetate 135.8
    tert-butyl acetate 177.37
    decalin 66.38
    glycerin 20.21
    diglyme 311.75
    acrylic acid 63.63
    isopropyl myristate 85.64
    n-butyric acid 143.7
    acetyl acetate 156.23
    di(2-ethylhexyl) phthalate 55.94
    ethyl propionate 195.16
    nitromethane 155.62
    1,2-diethoxyethane 418.82
    benzonitrile 133.25
    trioctyl phosphate 39.03
    1-bromopropane 342.18
    gamma-valerolactone 314.16
    n-decanol 47.69
    triethyl phosphate 118.53
    4-methyl-2-pentanol 51.88
    propionitrile 173.44
    vinylene carbonate 164.7
    1,1,2-trichlorotrifluoroethane 165.83
    DMS 131.37
    cumene 89.47
    2-octanol 44.82
    2-hexanone 172.44
    octyl acetate 92.92
    limonene 141.32
    1,2-dimethoxyethane 295.88
    ethyl orthosilicate 131.79
    tributyl phosphate 59.1
    diacetone alcohol 104.86
    N,N-dimethylaniline 140.3
    acrylonitrile 160.25
    aniline 133.37
    1,3-propanediol 46.91
    bromobenzene 261.62
    dibromomethane 486.02
    1,1,2,2-tetrachloroethane 458.15
    2-methyl-cyclohexyl acetate 174.97
    tetrabutyl urea 77.29
    diisobutyl methanol 85.98
    2-phenylethanol 125.82
    styrene 149.61
    dioctyl adipate 103.42
    dimethyl sulfate 87.69
    ethyl butyrate 286.77
    methyl lactate 47.2
    butyl lactate 61.93
    diethyl carbonate 175.82
    propanediol butyl ether 48.4
    triethyl orthoformate 211.88
    p-tert-butyltoluene 95.97
    methyl 4-tert-butylbenzoate 127.92
    morpholine 368.07
    tert-butylamine 81.08
    n-dodecanol 40.49
    dimethoxymethane 178.16
    ethylene carbonate 145.18
    cyrene 90.71
    2-ethoxyethyl acetate 184.64
    2-ethylhexyl acetate 230.02
    1,2,4-trichlorobenzene 224.79
    4-methylpyridine 262.95
    dibutyl ether 196.26
    2,6-dimethyl-4-heptanol 85.98
    DEF 212.02
    dimethyl isosorbide 272.18
    tetrachloroethylene 334.42
    eugenol 103.67
    triacetin 128.83
    span 80 91.77
    1,4-butanediol 20.98
    1,1-dichloroethane 356.22
    2-methyl-1-pentanol 84.07
    methyl formate 59.83
    2-methyl-1-butanol 83.66
    n-decane 36.79
    butyronitrile 168.68
    3,7-dimethyl-1-octanol 72.66
    1-chlorooctane 96.56
    1-chlorotetradecane 44.54
    n-nonane 37.74
    undecane 25.92
    tert-butylcyclohexane 66.7
    cyclooctane 60.3
    cyclopentanol 87.62
    tetrahydropyran 379.89
    tert-amyl methyl ether 175.51
    2,5,8-trioxanonane 228.26
    1-hexene 233.49
    2-isopropoxyethanol 84.2
    2,2,2-trifluoroethanol 34.65
    methyl butyrate 197.69

    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
Guava fruit (Nigeria) 91770-12-6 Psidium guajava L., fam. Myrtaceae 0.37%
Ylang Ylang (China) 2a 8006-81-5 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.29%
Narcissus tazetta headspace (China) 2 8023-75-4 Narcissus tazetta L. var chinensis Roem. f. florepleno, fam.Amaryllidaceae 1.11%
Michelia yunnanensis flower headspace (China) Michelia yunnanensis Franch. ex Finet et Gagnep., fam. Magnoliaceae 0.4%
Mimusops elengi flower headspace Mimusops elengi L., fam. Sapotaceae 0.7%
Genipap fruit (Brazil) Genipa americana L., fam. Rubiaceae 0.1%
Alstonia scholaris Alstonia scholaris (L.) R.Br., fam. Apocynaceae 0.8%