m-Cymene

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  • Identifiers

    CAS number
    535-77-3

    Molecular formula
    C10H14

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

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • DB5: 1026.5
    • Carbowax: 1270.5

  • Odor profile

    Woody 63.54%
    Spicy 61.21%
    Herbal 59.26%
    Green 52.1%
    Citrus 44.8%
    Fresh 43.29%
    Earthy 40.29%
    Terpenic 39.11%
    Phenolic 34.49%
    Leathery 31.97%

    Scent© AI

  • Properties

    XLogP3-AA
    4.0

    Molecular weight
    134.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Melting point expt.

    • -63.8 °C
    • -63.75 °C

    Boiling point

    • 175 °C
    • 174.00 to 176.00 °C. @ 760.00 mm Hg

    Flash point est.
    54.54 ˚C

    Solubility expt.

    • In water, 42.5 mg/L at 25 °C
    • Miscible with ethanol, ether, acetone, benzene, petroleum ether, carbon tetachloride
    • 0.0425 mg/mL at 25 °C

  • Synonyms

    • M-CYMENE
    • 535-77-3
    • 1-Isopropyl-3-methylbenzene
    • 3-Isopropyltoluene
    • m-Isopropyltoluene
    • m-Cymol
    • m-Methylisopropylbenzene
    • beta-Cymene
    • 1-Methyl-3-isopropylbenzene
    • Benzene, 1-methyl-3-(1-methylethyl)-
    • 1-Methyl-3-(1-methylethyl)benzene
    • 1-methyl-3-propan-2-ylbenzene
    • meta-cymene
    • NSC 73975
    • HSDB 3428
    • .beta.-Cymene
    • EINECS 208-617-9
    • 3-Methyl-1-isopropylbenzene
    • UNII-10ZH8R921S
    • BRN 1851357
    • 10ZH8R921S
    • NSC-73975
    • CYMENE, M-
    • 1-Methyl-3-(1-methylethyl)-benzene
    • DTXSID2060206
    • 4-05-00-01058 (Beilstein Handbook Reference)
    • MFCD00008891
    • m-cymene [UN2046] [Flammable liquid]
    • m-Cymene, 99%
    • 3-Methylisopropylbenzene
    • m-cymene [UN2046] [Flammable liquid]
    • M-CYMENE [HSDB]
    • M-CYMENE [MI]
    • m-Mentha-1,3,5-triene
    • m-Cymene, analytical standard
    • 1-Methyl-3-isopropyl benzene
    • DTXCID9041449
    • 1-methyl-3-(propan-2-yl)benzene
    • NSC73975
    • 1-methyl-3-(1-methylethyl) benzene
    • AKOS005110997
    • 1-Methyl-3-(1-methylethyl)benzene, 9CI
    • C0798
    • CS-0331846
    • NS00020834
    • T71023
    • Q27251197
    • 208-617-9

  • Applications

    m-Cymene (3-isopropyltoluene, CAS 535-77-3) is a meta-isomeric aromatic monoterpene occurring naturally in several essential oils (e.g., cumin, thyme, eucalyptus) and valued for its pleasant odor, moderate volatility, and hydrophobicity; in fragrances and personal care, it serves as a perfume ingredient or odor modulator in perfumes, soaps, detergents, and related products; in foods and beverages, at appropriate trace levels it can contribute terpene-like flavor nuances; industrially, m-cymene (and cymene solvent grades containing isomer mixtures) is utilized as a low-polarity aromatic solvent/co-solvent to dissolve resins, alkyds, epoxies, and additives in coatings, inks, adhesives, and industrial cleaners, and is sometimes considered an aromatic alternative to xylene with favorable odor and flash point characteristics; in synthesis, it is a useful intermediate for producing meta-substituted derivatives (via sulfonation, nitration, oxidation, etc.), including the cymene–cresol route to m-cresol, and as an aromatic scaffold in agrochemical, pharmaceutical, and functional-materials development; in research and analysis, it is employed as a VOC reference/calibration standard in GC, as a model compound for atmospheric oxidation and catalytic studies, and as a fragrance carrier or polymer swelling agent in certain systems; note that it is a flammable, volatile liquid requiring good ventilation and compliance with applicable safety and environmental regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 508.07
    methanol 255.46
    isopropanol 544.16
    water 0.09
    ethyl acetate 1247.45
    n-propanol 593.92
    acetone 1417.24
    n-butanol 703.99
    acetonitrile 918.94
    DMF 1055.2
    toluene 904.43
    isobutanol 519.38
    1,4-dioxane 2256.05
    methyl acetate 1068.18
    THF 3380.69
    2-butanone 1423.66
    n-pentanol 529.92
    sec-butanol 627.3
    n-hexane 1369.43
    ethylene glycol 42.5
    NMP 1066.59
    cyclohexane 882.83
    DMSO 777.33
    n-butyl acetate 2277.48
    n-octanol 670.34
    chloroform 2098.98
    n-propyl acetate 908.32
    acetic acid 203.43
    dichloromethane 1890.94
    cyclohexanone 1927.08
    propylene glycol 100.28
    isopropyl acetate 861.9
    DMAc 817.88
    2-ethoxyethanol 428.55
    isopentanol 694.9
    n-heptane 979.04
    ethyl formate 524.78
    1,2-dichloroethane 1591.95
    n-hexanol 1539.4
    2-methoxyethanol 531.8
    isobutyl acetate 710.77
    tetrachloromethane 531.03
    n-pentyl acetate 762.9
    transcutol 1492.99
    n-heptanol 617.66
    ethylbenzene 639.0
    MIBK 934.72
    2-propoxyethanol 1340.6
    tert-butanol 825.61
    MTBE 1822.6
    2-butoxyethanol 593.25
    propionic acid 307.84
    o-xylene 541.9
    formic acid 23.55
    diethyl ether 1950.64
    m-xylene 659.05
    p-xylene 710.07
    chlorobenzene 884.11
    dimethyl carbonate 344.14
    n-octane 358.31
    formamide 51.73
    cyclopentanone 2121.08
    2-pentanone 1324.05
    anisole 890.26
    cyclopentyl methyl ether 1895.1
    gamma-butyrolactone 1645.78
    1-methoxy-2-propanol 627.1
    pyridine 1250.36
    3-pentanone 1128.41
    furfural 890.76
    n-dodecane 223.1
    diethylene glycol 402.17
    diisopropyl ether 838.93
    tert-amyl alcohol 765.28
    acetylacetone 1030.95
    n-hexadecane 258.7
    acetophenone 574.86
    methyl propionate 891.75
    isopentyl acetate 1724.36
    trichloroethylene 1985.15
    n-nonanol 573.3
    cyclohexanol 782.9
    benzyl alcohol 364.76
    2-ethylhexanol 1189.99
    isooctanol 492.24
    dipropyl ether 2255.71
    1,2-dichlorobenzene 735.74
    ethyl lactate 250.65
    propylene carbonate 921.01
    n-methylformamide 318.06
    2-pentanol 660.37
    n-pentane 632.35
    1-propoxy-2-propanol 1219.74
    1-methoxy-2-propyl acetate 1150.62
    2-(2-methoxypropoxy) propanol 527.21
    mesitylene 488.33
    ε-caprolactone 1434.62
    p-cymene 493.78
    epichlorohydrin 2031.58
    1,1,1-trichloroethane 1794.35
    2-aminoethanol 114.33
    morpholine-4-carbaldehyde 1064.73
    sulfolane 1572.77
    2,2,4-trimethylpentane 259.42
    2-methyltetrahydrofuran 2637.36
    n-hexyl acetate 1181.33
    isooctane 281.48
    2-(2-butoxyethoxy)ethanol 761.43
    sec-butyl acetate 657.38
    tert-butyl acetate 1022.64
    decalin 437.82
    glycerin 106.71
    diglyme 1307.76
    acrylic acid 192.49
    isopropyl myristate 564.83
    n-butyric acid 633.54
    acetyl acetate 550.33
    di(2-ethylhexyl) phthalate 294.62
    ethyl propionate 795.02
    nitromethane 559.36
    1,2-diethoxyethane 1627.73
    benzonitrile 612.66
    trioctyl phosphate 298.06
    1-bromopropane 1631.54
    gamma-valerolactone 1749.81
    n-decanol 463.12
    triethyl phosphate 387.48
    4-methyl-2-pentanol 452.26
    propionitrile 948.58
    vinylene carbonate 650.45
    1,1,2-trichlorotrifluoroethane 595.15
    DMS 644.58
    cumene 472.02
    2-octanol 479.4
    2-hexanone 1197.2
    octyl acetate 654.43
    limonene 887.29
    1,2-dimethoxyethane 1452.74
    ethyl orthosilicate 409.02
    tributyl phosphate 364.69
    diacetone alcohol 740.45
    N,N-dimethylaniline 603.42
    acrylonitrile 771.3
    aniline 563.51
    1,3-propanediol 226.73
    bromobenzene 1143.72
    dibromomethane 1623.87
    1,1,2,2-tetrachloroethane 1720.53
    2-methyl-cyclohexyl acetate 778.35
    tetrabutyl urea 458.66
    diisobutyl methanol 586.03
    2-phenylethanol 664.9
    styrene 730.02
    dioctyl adipate 528.4
    dimethyl sulfate 451.56
    ethyl butyrate 1235.49
    methyl lactate 247.64
    butyl lactate 395.13
    diethyl carbonate 599.78
    propanediol butyl ether 419.47
    triethyl orthoformate 723.83
    p-tert-butyltoluene 499.16
    methyl 4-tert-butylbenzoate 550.5
    morpholine 1943.99
    tert-butylamine 708.23
    n-dodecanol 390.66
    dimethoxymethane 1020.84
    ethylene carbonate 658.38
    cyrene 417.49
    2-ethoxyethyl acetate 742.8
    2-ethylhexyl acetate 1489.84
    1,2,4-trichlorobenzene 761.83
    4-methylpyridine 1382.61
    dibutyl ether 1550.05
    2,6-dimethyl-4-heptanol 586.03
    DEF 1155.31
    dimethyl isosorbide 975.59
    tetrachloroethylene 957.24
    eugenol 434.66
    triacetin 566.39
    span 80 516.2
    1,4-butanediol 110.11
    1,1-dichloroethane 1781.54
    2-methyl-1-pentanol 540.4
    methyl formate 313.6
    2-methyl-1-butanol 662.98
    n-decane 373.56
    butyronitrile 1107.77
    3,7-dimethyl-1-octanol 647.44
    1-chlorooctane 954.18
    1-chlorotetradecane 382.58
    n-nonane 447.62
    undecane 279.78
    tert-butylcyclohexane 449.03
    cyclooctane 460.16
    cyclopentanol 740.93
    tetrahydropyran 2732.35
    tert-amyl methyl ether 1271.75
    2,5,8-trioxanonane 831.66
    1-hexene 2032.9
    2-isopropoxyethanol 460.6
    2,2,2-trifluoroethanol 68.44
    methyl butyrate 1027.71

    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
Mentha sylvestris var. incana Mentha sylvestris var. incana, fam Lamiacae (Labiatae) 0.48%
Cymbopogon jwarancusa (Himalaya) Cymbopogon jwarancusa (Jones) Schult., fam. Poaceae (Gramineae) 0.03%
Hyssop (Himalaya) 8006-83-5 Hyssopus officinalis L., fam. Lamiaceae (Labiatae) 0.02%
Lepechinia urbanii Lepechinia urbanii (Briq.) Epling, fam. Lamiaceae (Labiatae) 0.35%
Blackcurrant bud 2 68606-81-5 Ribes nigrum L., fam. Grossulariaceae 0.09%
Thyme 5 8007-46-3 Thymus vulgaris L., fam. Lamiaceae (Labiatae) 0.01%
Blackcurrant bud 3 68606-81-5 Ribes nigrum L., fam. Grossulariaceae 0.09%
Pepper, black (variety Muntok) 8006-82-4 Piper nigrum L., variety Muntok, fam. Piperaceae 0.17%
Coriander fruit (Finland) 4 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.75%
Bitter orange leaf 3 (Petitgrain) 8014-17-3 Citrus aurantium L., ssp. amara Engl., fam. Rutaceae 0.5%
Fennel, bitter (China) 2 8006-84-6 Foeniculum vulgare Miller, var. vulgare DC, fam. Apiaceae (Umbelliferae) 0.58%
Pepper, black (China) 1 fruit 8006-82-4 Piper nigrum L., fam. Piperaceae 1.07%
Pepper, white (China) 8006-82-4 Piper nigrum L., fam. Piperaceae 1.05%
Acronychia oligophlebia (China) Acronychia oligophlebia Merr., fam. Rutaceae 3.19%
Zanthoxylum avicennae (China) Zanthoxylum avicennae (Lam.) DC., fam. Rutaceae 20.0%
Pittosporum tobira flower (China) Pittosporum tobira Ait., fam. Pittosporaceae 0.13%
Phoebe 1 Phoebe porosa Mez. (syn. Oreodaphne porosa Nees et Mart.), fam. Lauraceae 0.07%
Angelica root (France) 1 8015-64-3 Angelica archangelica L., fam. Apiaceae (Umbelliferae) 0.04%
Pinus sibirica (Mongolia) 1b Pinus sibirica (Rupr.) Mayr (Siberian pine), fam. Pinaceae 0.2%
Bergamot (Turkey) 2 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.3%
Wartara (India) 3 seed Zanthoxylum armatum DC. (Z. alatum Roxb.), fam Rutaceae 0.05%
Lanyana (South Afrika) 2 Artemisia afra Jacq., fam. Asteraceae (Compositae) 1.4%
Lavender (South Africa) 8000-28-0 Lavandula angustifolia Mill. (L. officinalis Chaix), fam. Lamiaceae 0.5%
Pteronia incana 3 Pteronia incana, fam. Asteraceae (Compositae) 8.3%
Rosemary (South Africa) 2 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 2.0%
Astronium urundeuva (Brazil) Astronium urundeuva (Allemao) Engl., fam. Anacardiaceae 0.2%