3,4,5-Trimethoxytoluene

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  • Identifiers

    CAS number
    6443-69-2

    Molecular formula
    C10H14O3

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

  • Odor profile

    Spicy 66.65%
    Phenolic 59.76%
    Woody 57.35%
    Smoky 48.84%
    Vanilla 42.1%
    Floral 35.61%
    Leathery 35.24%
    Earthy 35.22%
    Burnt 35.04%
    Balsamic 33.08%

    Scent© AI

  • Properties

    XLogP3-AA
    1.8

    Molecular weight
    182.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    261°C

    Flash point est.
    91.95 ˚C

  • Synonyms

    • 3,4,5-Trimethoxytoluene
    • 6443-69-2
    • 1,2,3-Trimethoxy-5-methylbenzene
    • Benzene, 1,2,3-trimethoxy-5-methyl-
    • Toluene, 3,4,5-trimethoxy-
    • EINECS 229-239-0
    • MFCD00008397
    • CHEMBL156710
    • CHEBI:81354
    • DTXSID80214683
    • EC 229-239-0
    • 5-methyl-1,2,3-trimethoxybenzene
    • Benzene, 5-methyl-1,2,3-trimethoxy
    • 5-Methylpyrogallol trimethyl ether
    • 1,2,3-Trimethoxy-5-methyl-benzene
    • DZV7MLT5SB
    • 3,4,5-trimethoxy-toluene
    • 3,4,5-Trimethoxy toluene
    • (3,4,5-Trimethoxy)toluene
    • SCHEMBL171116
    • DTXCID10137174
    • 3,4,5-Trimethoxytoluene, 97%
    • BDBM50008538
    • AKOS000121615
    • AC-4356
    • CS-W017113
    • FT71325
    • AS-57893
    • SY030334
    • DB-021836
    • NS00004405
    • T1236
    • EN300-16619
    • C17822
    • D70896
    • Q27155292
    • Z56347223
    • 229-239-0

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 591.48
    methanol 688.44
    isopropanol 424.27
    water 9.3
    ethyl acetate 772.89
    n-propanol 445.58
    acetone 1264.66
    n-butanol 356.98
    acetonitrile 1140.47
    DMF 1825.24
    toluene 225.95
    isobutanol 314.09
    1,4-dioxane 1769.88
    methyl acetate 1067.89
    THF 1430.64
    2-butanone 728.53
    n-pentanol 280.51
    sec-butanol 367.31
    n-hexane 49.11
    ethylene glycol 690.67
    NMP 927.55
    cyclohexane 160.4
    DMSO 1314.2
    n-butyl acetate 400.71
    n-octanol 220.52
    chloroform 2663.47
    n-propyl acetate 476.35
    acetic acid 1178.74
    dichloromethane 2793.09
    cyclohexanone 998.31
    propylene glycol 397.02
    isopropyl acetate 354.63
    DMAc 757.79
    2-ethoxyethanol 733.75
    isopentanol 232.94
    n-heptane 73.86
    ethyl formate 1100.75
    1,2-dichloroethane 1628.71
    n-hexanol 321.8
    2-methoxyethanol 1386.54
    isobutyl acetate 244.04
    tetrachloromethane 634.7
    n-pentyl acetate 274.13
    transcutol 586.84
    n-heptanol 207.61
    ethylbenzene 169.76
    MIBK 241.69
    2-propoxyethanol 635.24
    tert-butanol 458.99
    MTBE 322.36
    2-butoxyethanol 367.59
    propionic acid 736.74
    o-xylene 187.24
    formic acid 560.77
    diethyl ether 460.59
    m-xylene 166.03
    p-xylene 245.24
    chlorobenzene 560.89
    dimethyl carbonate 525.03
    n-octane 44.58
    formamide 872.97
    cyclopentanone 1285.16
    2-pentanone 512.18
    anisole 392.37
    cyclopentyl methyl ether 518.92
    gamma-butyrolactone 1803.42
    1-methoxy-2-propanol 748.48
    pyridine 992.41
    3-pentanone 447.63
    furfural 1592.79
    n-dodecane 36.85
    diethylene glycol 808.41
    diisopropyl ether 127.17
    tert-amyl alcohol 340.81
    acetylacetone 737.61
    n-hexadecane 43.06
    acetophenone 405.27
    methyl propionate 720.4
    isopentyl acetate 292.64
    trichloroethylene 2669.93
    n-nonanol 186.11
    cyclohexanol 447.65
    benzyl alcohol 404.96
    2-ethylhexanol 218.52
    isooctanol 159.63
    dipropyl ether 250.89
    1,2-dichlorobenzene 600.07
    ethyl lactate 350.25
    propylene carbonate 1054.29
    n-methylformamide 1331.18
    2-pentanol 234.75
    n-pentane 55.11
    1-propoxy-2-propanol 388.53
    1-methoxy-2-propyl acetate 402.04
    2-(2-methoxypropoxy) propanol 231.03
    mesitylene 123.36
    ε-caprolactone 854.32
    p-cymene 145.7
    epichlorohydrin 1718.28
    1,1,1-trichloroethane 1399.75
    2-aminoethanol 555.09
    morpholine-4-carbaldehyde 1231.09
    sulfolane 1644.05
    2,2,4-trimethylpentane 33.7
    2-methyltetrahydrofuran 799.9
    n-hexyl acetate 366.18
    isooctane 26.46
    2-(2-butoxyethoxy)ethanol 333.98
    sec-butyl acetate 224.92
    tert-butyl acetate 317.67
    decalin 75.28
    glycerin 665.45
    diglyme 827.8
    acrylic acid 864.48
    isopropyl myristate 148.0
    n-butyric acid 749.8
    acetyl acetate 614.77
    di(2-ethylhexyl) phthalate 155.39
    ethyl propionate 408.19
    nitromethane 2387.95
    1,2-diethoxyethane 329.84
    benzonitrile 592.23
    trioctyl phosphate 137.46
    1-bromopropane 565.6
    gamma-valerolactone 1451.71
    n-decanol 145.0
    triethyl phosphate 213.64
    4-methyl-2-pentanol 122.35
    propionitrile 637.8
    vinylene carbonate 1167.62
    1,1,2-trichlorotrifluoroethane 1522.19
    DMS 394.8
    cumene 128.06
    2-octanol 157.6
    2-hexanone 358.93
    octyl acetate 203.99
    limonene 199.65
    1,2-dimethoxyethane 1273.42
    ethyl orthosilicate 180.54
    tributyl phosphate 154.03
    diacetone alcohol 380.66
    N,N-dimethylaniline 238.63
    acrylonitrile 1008.83
    aniline 365.02
    1,3-propanediol 662.76
    bromobenzene 597.34
    dibromomethane 1598.71
    1,1,2,2-tetrachloroethane 2092.97
    2-methyl-cyclohexyl acetate 248.87
    tetrabutyl urea 186.25
    diisobutyl methanol 125.88
    2-phenylethanol 345.31
    styrene 219.16
    dioctyl adipate 224.61
    dimethyl sulfate 749.9
    ethyl butyrate 341.67
    methyl lactate 489.16
    butyl lactate 226.7
    diethyl carbonate 313.73
    propanediol butyl ether 332.09
    triethyl orthoformate 244.21
    p-tert-butyltoluene 141.98
    methyl 4-tert-butylbenzoate 318.51
    morpholine 1441.72
    tert-butylamine 266.63
    n-dodecanol 118.52
    dimethoxymethane 1136.23
    ethylene carbonate 991.4
    cyrene 338.02
    2-ethoxyethyl acetate 351.19
    2-ethylhexyl acetate 243.75
    1,2,4-trichlorobenzene 667.83
    4-methylpyridine 697.79
    dibutyl ether 201.2
    2,6-dimethyl-4-heptanol 125.88
    DEF 610.76
    dimethyl isosorbide 448.48
    tetrachloroethylene 1600.26
    eugenol 297.93
    triacetin 350.33
    span 80 228.3
    1,4-butanediol 382.02
    1,1-dichloroethane 1229.4
    2-methyl-1-pentanol 194.93
    methyl formate 1611.84
    2-methyl-1-butanol 245.09
    n-decane 57.17
    butyronitrile 597.51
    3,7-dimethyl-1-octanol 162.22
    1-chlorooctane 184.47
    1-chlorotetradecane 82.97
    n-nonane 58.39
    undecane 44.81
    tert-butylcyclohexane 58.92
    cyclooctane 60.9
    cyclopentanol 598.43
    tetrahydropyran 925.55
    tert-amyl methyl ether 237.14
    2,5,8-trioxanonane 462.68
    1-hexene 134.81
    2-isopropoxyethanol 413.5
    2,2,2-trifluoroethanol 625.23
    methyl butyrate 595.18

    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
Minthostachys spicata Minthostachys spicata (Benth.) Epl., fam Lamiaceae (Labiatae) 12.4%