2,5-Dimethoxy-p-cymene

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  • Identifiers

    CAS number
    14753-08-3

    Molecular formula
    C12H18O2

    SMILES
    CC1=CC(=C(C=C1OC)C(C)C)OC

    Retention indicies (RI)

    • DB5: 1424.33

  • Odor profile

    Spicy 70.33%
    Phenolic 61.98%
    Woody 57.32%
    Herbal 55.48%
    Smoky 44.71%
    Earthy 43.97%
    Leathery 42.01%
    Medicinal 41.3%
    Camphoreous 37.87%
    Burnt 34.52%

    Scent© AI

  • Properties

    XLogP3-AA
    3.4

    Molecular weight
    194.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    272°C

    Flash point est.
    99.46 ˚C

  • Synonyms

    • 2,5-Dimethoxy-p-cymene
    • 14753-08-3
    • p-2,5-Dimethoxycymene
    • Thymohydroquinone dimethyl ether
    • Benzene, 1,4-dimethoxy-2-methyl-5-(1-methylethyl)-
    • 1,4-dimethoxy-2-methyl-5-propan-2-ylbenzene
    • 1,4-dimethoxy-2-methyl-5-(propan-2-yl)benzene
    • thymoquinol dimethylether
    • Thymoquinol dimethyl ether
    • 2KH5WR9MND
    • cymene(2,5-dimethoxy-p-)
    • p-Cymene, 2,5-dimethoxy-
    • 4-Hydroxythymol dimethyl ether
    • CHEMBL456933
    • SCHEMBL12613923
    • DTXSID20423797
    • VTRMVHBUTNPBTP-UHFFFAOYSA-N
    • Benzene, 1,4-dimethoxy-2-methyl-5-isopropyl-
    • 1,4-Dimethoxy-2-methyl-5-(1-methylethyl)benzene
    • Q28457222

  • Applications

    2,5-Dimethoxy-p-cymene (CAS 14753-08-3) is a hydrophobic aromatic ether with moderate volatility that is widely used as a reference standard and comparator in GC/GC–MS (retention index calibration, separation performance studies, and method validation), evaluated as a constituent/marker in essential-oil and fragrance research of p-cymene–derived mixtures, employed as a synthetic intermediate/scaffold in organic synthesis to access substituted aryl ethers, phenols, and value-added p-cymene derivatives (supporting pharmaceutical and agrochemical discovery), used as a model substrate to probe radical oxidation pathways and electrophilic selectivity on electron-rich aromatics, and applied in materials and formulation studies as a lipophilic additive to assess solubility, polymer compatibility, and release behavior of nonpolar actives; in these contexts its stability, UV absorbance, and mild aromatic note also facilitate sensory tests, oxidative/photolytic degradation monitoring, and fragrance formulation work.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 819.18
    methanol 558.08
    isopropanol 715.65
    water 0.92
    ethyl acetate 1201.6
    n-propanol 811.84
    acetone 1412.24
    n-butanol 721.64
    acetonitrile 1473.54
    DMF 1154.1
    toluene 731.86
    isobutanol 620.05
    1,4-dioxane 2561.77
    methyl acetate 1243.82
    THF 2398.33
    2-butanone 1123.46
    n-pentanol 535.88
    sec-butanol 686.5
    n-hexane 156.35
    ethylene glycol 169.45
    NMP 881.69
    cyclohexane 456.49
    DMSO 824.24
    n-butyl acetate 901.03
    n-octanol 342.51
    chloroform 4718.61
    n-propyl acetate 730.51
    acetic acid 834.39
    dichloromethane 4929.53
    cyclohexanone 1725.05
    propylene glycol 206.08
    isopropyl acetate 558.16
    DMAc 711.9
    2-ethoxyethanol 721.92
    isopentanol 526.64
    n-heptane 171.85
    ethyl formate 1119.38
    1,2-dichloroethane 2580.08
    n-hexanol 643.24
    2-methoxyethanol 954.95
    isobutyl acetate 446.38
    tetrachloromethane 1065.69
    n-pentyl acetate 520.71
    transcutol 806.12
    n-heptanol 330.13
    ethylbenzene 432.52
    MIBK 415.9
    2-propoxyethanol 761.62
    tert-butanol 852.26
    MTBE 865.68
    2-butoxyethanol 445.96
    propionic acid 694.03
    o-xylene 447.97
    formic acid 164.68
    diethyl ether 1186.43
    m-xylene 468.01
    p-xylene 589.98
    chlorobenzene 1053.15
    dimethyl carbonate 394.82
    n-octane 88.31
    formamide 323.84
    cyclopentanone 1673.48
    2-pentanone 829.14
    anisole 714.95
    cyclopentyl methyl ether 1030.39
    gamma-butyrolactone 1931.76
    1-methoxy-2-propanol 626.54
    pyridine 1669.93
    3-pentanone 684.49
    furfural 1423.51
    n-dodecane 63.32
    diethylene glycol 463.04
    diisopropyl ether 282.06
    tert-amyl alcohol 673.22
    acetylacetone 750.29
    n-hexadecane 74.14
    acetophenone 566.8
    methyl propionate 821.96
    isopentyl acetate 642.48
    trichloroethylene 4235.07
    n-nonanol 289.45
    cyclohexanol 899.47
    benzyl alcohol 549.26
    2-ethylhexanol 395.9
    isooctanol 260.01
    dipropyl ether 549.97
    1,2-dichlorobenzene 915.61
    ethyl lactate 300.37
    propylene carbonate 1122.75
    n-methylformamide 721.14
    2-pentanol 490.1
    n-pentane 164.25
    1-propoxy-2-propanol 498.06
    1-methoxy-2-propyl acetate 536.08
    2-(2-methoxypropoxy) propanol 301.27
    mesitylene 304.93
    ε-caprolactone 1316.77
    p-cymene 284.63
    epichlorohydrin 2356.31
    1,1,1-trichloroethane 2567.92
    2-aminoethanol 307.57
    morpholine-4-carbaldehyde 1089.86
    sulfolane 1378.49
    2,2,4-trimethylpentane 86.76
    2-methyltetrahydrofuran 1702.56
    n-hexyl acetate 663.62
    isooctane 63.37
    2-(2-butoxyethoxy)ethanol 419.17
    sec-butyl acetate 412.77
    tert-butyl acetate 530.8
    decalin 159.13
    glycerin 234.71
    diglyme 896.07
    acrylic acid 557.44
    isopropyl myristate 258.73
    n-butyric acid 958.75
    acetyl acetate 709.18
    di(2-ethylhexyl) phthalate 212.13
    ethyl propionate 575.29
    nitromethane 1476.98
    1,2-diethoxyethane 613.53
    benzonitrile 858.57
    trioctyl phosphate 177.06
    1-bromopropane 1421.91
    gamma-valerolactone 1778.05
    n-decanol 213.98
    triethyl phosphate 275.44
    4-methyl-2-pentanol 232.23
    propionitrile 1058.95
    vinylene carbonate 1111.2
    1,1,2-trichlorotrifluoroethane 1122.17
    DMS 447.66
    cumene 281.02
    2-octanol 270.21
    2-hexanone 628.9
    octyl acetate 338.28
    limonene 383.83
    1,2-dimethoxyethane 1371.53
    ethyl orthosilicate 261.31
    tributyl phosphate 200.37
    diacetone alcohol 483.52
    N,N-dimethylaniline 392.13
    acrylonitrile 1094.57
    aniline 694.15
    1,3-propanediol 514.36
    bromobenzene 1219.81
    dibromomethane 3178.72
    1,1,2,2-tetrachloroethane 2943.05
    2-methyl-cyclohexyl acetate 432.71
    tetrabutyl urea 238.7
    diisobutyl methanol 223.43
    2-phenylethanol 521.24
    styrene 558.21
    dioctyl adipate 333.33
    dimethyl sulfate 450.88
    ethyl butyrate 593.63
    methyl lactate 285.3
    butyl lactate 302.22
    diethyl carbonate 460.86
    propanediol butyl ether 322.96
    triethyl orthoformate 392.05
    p-tert-butyltoluene 272.95
    methyl 4-tert-butylbenzoate 417.95
    morpholine 2236.48
    tert-butylamine 550.61
    n-dodecanol 165.92
    dimethoxymethane 977.13
    ethylene carbonate 1001.58
    cyrene 388.97
    2-ethoxyethyl acetate 576.31
    2-ethylhexyl acetate 537.21
    1,2,4-trichlorobenzene 976.15
    4-methylpyridine 1392.12
    dibutyl ether 408.47
    2,6-dimethyl-4-heptanol 223.43
    DEF 807.25
    dimethyl isosorbide 610.32
    tetrachloroethylene 2012.12
    eugenol 363.1
    triacetin 456.22
    span 80 305.25
    1,4-butanediol 246.53
    1,1-dichloroethane 2498.03
    2-methyl-1-pentanol 424.9
    methyl formate 779.19
    2-methyl-1-butanol 547.46
    n-decane 105.71
    butyronitrile 1173.3
    3,7-dimethyl-1-octanol 264.47
    1-chlorooctane 338.81
    1-chlorotetradecane 134.93
    n-nonane 111.99
    undecane 79.02
    tert-butylcyclohexane 136.28
    cyclooctane 148.56
    cyclopentanol 913.9
    tetrahydropyran 2246.9
    tert-amyl methyl ether 574.89
    2,5,8-trioxanonane 552.22
    1-hexene 438.18
    2-isopropoxyethanol 502.69
    2,2,2-trifluoroethanol 317.82
    methyl butyrate 808.66

    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
Sphaeranthus suaveolens (Egypt) Sphaeranthus suaveolens DC., fam. Asteraceae (Compositae) 16.1%
Tagetes 2 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.87%
Eupatorium stoechadosmum Eupatorium stoechadosmum Hance, fam. Asteraceae (Compositae) 73.0%
Blumea brevipes Blumea brevipes (Oliv. & Hiern) Willd., fam. Asteraceae (Compositae) 0.2%
Valeriana javanica root (Indonesia) Valeriana javanica Blume, fam. Valerianaceae 0.3%
Eupatorium capillifolium (Cuba) Eupatorium capillifolium (Lam.) Small, fam. Asteraceae (Compositae) 0.09%
Laggera alata var. montana (Cameroon) Laggera alata var. montana C.D. Adams, fam. Asteraceae (Compositae) 34.1%
Laggera gracilis (Cameroon) Laggera gracilis (O. Hoffm. & Muschl.) C.D. Adams, fam. Asteraceae 33.4%
Laggera oloptera (Cameroon) Laggera oloptera (DC.), C.D. Adams, fam. Asteraceae (Compositae) 15.0%