1,2,3-Trimethoxybenzene

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  • Identifiers

    CAS number
    634-36-6

    Molecular formula
    C9H12O3

    SMILES
    COC1=C(C(=CC=C1)OC)OC

  • Odor profile

    Fragrance
    Phenolic 64.82%
    Spicy 60.16%
    Vanilla 55.87%
    Smoky 52.21%
    Earthy 48.09%
    Sweet 45.28%
    Woody 42.75%
    Nutty 36.84%
    Medicinal 35.95%
    Burnt 35.78%

     

    Flavor
    Musty 43.22%
    Phenolic 42.36%
    Earthy 37.0%
    Sweet 33.38%
    Smoky 33.33%
    Spice 33.14%
    Bitter 32.29%
    Vanilla 31.88%
    Creamy 31.14%
    Woody 29.13%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    7.45 (neutral)

    Molecular weight
    168.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    248°C

    Flash point

    • 86.2 ˚C est.

  • Synonyms

    • 1,2,3-TRIMETHOXYBENZENE
    • 634-36-6
    • Pyrogallol trimethyl ether
    • Tri-O-methylpyrogallol
    • Benzene, 1,2,3-trimethoxy-
    • Trimethoxybenzene
    • Methylsyringol (VAN)
    • UNII-MRE1O894FG
    • 1,2,3-trimethoxy benzene
    • MRE1O894FG
    • MFCD00008358
    • 1,2,3-Trimethoxybenzen
    • EINECS 211-207-2
    • NSC 10124
    • NSC-10124
    • Benzene, trimethoxy-
    • AI3-02077
    • DTXSID1060899
    • CHEBI:86529
    • CRUILBNAQILVHZ-UHFFFAOYSA-
    • 1,2,3-trimethoxy-benzene
    • TriOmethylpyrogallol
    • 1,3-Trimethoxybenzene
    • 2,3,4-trimethoxybenzene
    • 1.2.3-Trimethoxybenzene
    • 3,4,5-Trimethoxybenzene
    • bmse010218
    • Benzene, 1,2,3trimethoxy
    • Cambridge id 5108143
    • SCHEMBL151213
    • DTXCID1043831
    • 1,2,3-Trimethoxybenzene, 98%
    • HMS1577E02
    • BCP33591
    • NSC10124
    • 1,2,3-TMB
    • STK499049
    • AKOS000120025
    • CS-W017808
    • FT71382
    • HY-W017092
    • AS-12689
    • PD158341
    • SY036393
    • DB-003154
    • NS00009609
    • T1102
    • EN300-20240
    • D70961
    • AH-034/32464032
    • Pyrogallol trimethyl ether;Benzene, 1,2,3-trimethoxy-
    • Q27159216
    • F0001-1721
    • Z104477452
    • 211-207-2

  • Applications

    1,2,3-Trimethoxybenzene (CAS 634-36-6) is primarily used as an intermediate in organic synthesis, serving to enable the preparation of methoxy-substituted aromatic compounds and derivatives used in fragrance chemistry. It is commonly treated as a precursor for fragrance materials and cosmetic/personal care ingredients, as well as a building block for aroma-related formulations. Additionally, it serves as an intermediate in pharmaceutical and agrochemical manufacturing in certain processes. In the coatings, inks, and dye sectors, it can participate in the synthesis of colorants and resin precursors. As a chemical building block, it is also used in research and development for specialty polymers and resins. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 538.61
    methanol 678.84
    isopropanol 370.74
    water 11.47
    ethyl acetate 1124.23
    n-propanol 402.18
    acetone 1691.81
    n-butanol 313.14
    acetonitrile 1858.45
    DMF 2084.24
    toluene 271.98
    isobutanol 272.61
    1,4-dioxane 2393.82
    methyl acetate 1467.65
    THF 1669.53
    2-butanone 909.44
    n-pentanol 249.59
    sec-butanol 314.92
    n-hexane 57.71
    ethylene glycol 667.15
    NMP 1140.18
    cyclohexane 211.95
    DMSO 2055.96
    n-butyl acetate 522.83
    n-octanol 213.58
    chloroform 3484.09
    n-propyl acetate 657.51
    acetic acid 1541.3
    dichloromethane 4294.29
    cyclohexanone 1316.91
    propylene glycol 303.22
    isopropyl acetate 479.87
    DMAc 950.29
    2-ethoxyethanol 845.2
    isopentanol 218.2
    n-heptane 87.82
    ethyl formate 1462.17
    1,2-dichloroethane 2512.79
    n-hexanol 277.1
    2-methoxyethanol 1479.65
    isobutyl acetate 300.25
    tetrachloromethane 956.57
    n-pentyl acetate 343.36
    transcutol 789.07
    n-heptanol 188.92
    ethylbenzene 185.51
    MIBK 281.27
    2-propoxyethanol 639.16
    tert-butanol 445.05
    MTBE 366.54
    2-butoxyethanol 380.72
    propionic acid 899.61
    o-xylene 225.04
    formic acid 723.27
    diethyl ether 639.69
    m-xylene 198.84
    p-xylene 284.25
    chlorobenzene 762.65
    dimethyl carbonate 721.13
    n-octane 50.48
    formamide 1355.5
    cyclopentanone 1641.64
    2-pentanone 634.91
    anisole 497.5
    cyclopentyl methyl ether 596.23
    gamma-butyrolactone 2569.7
    1-methoxy-2-propanol 693.58
    pyridine 1362.36
    3-pentanone 582.78
    furfural 2119.36
    n-dodecane 39.94
    diethylene glycol 823.97
    diisopropyl ether 156.67
    tert-amyl alcohol 324.24
    acetylacetone 958.5
    n-hexadecane 47.73
    acetophenone 522.36
    methyl propionate 976.5
    isopentyl acetate 359.59
    trichloroethylene 4094.75
    n-nonanol 184.72
    cyclohexanol 449.29
    benzyl alcohol 442.18
    2-ethylhexanol 206.88
    isooctanol 147.64
    dipropyl ether 329.62
    1,2-dichlorobenzene 843.68
    ethyl lactate 391.57
    propylene carbonate 1374.12
    n-methylformamide 1696.91
    2-pentanol 206.1
    n-pentane 61.98
    1-propoxy-2-propanol 386.19
    1-methoxy-2-propyl acetate 461.03
    2-(2-methoxypropoxy) propanol 248.16
    mesitylene 156.47
    ε-caprolactone 1162.23
    p-cymene 165.28
    epichlorohydrin 2458.72
    1,1,1-trichloroethane 2136.96
    2-aminoethanol 475.93
    morpholine-4-carbaldehyde 1585.41
    sulfolane 2404.74
    2,2,4-trimethylpentane 36.84
    2-methyltetrahydrofuran 981.66
    n-hexyl acetate 432.76
    isooctane 28.13
    2-(2-butoxyethoxy)ethanol 350.47
    sec-butyl acetate 293.15
    tert-butyl acetate 413.33
    decalin 88.15
    glycerin 566.73
    diglyme 1059.97
    acrylic acid 1041.6
    isopropyl myristate 172.14
    n-butyric acid 879.51
    acetyl acetate 899.03
    di(2-ethylhexyl) phthalate 153.35
    ethyl propionate 566.25
    nitromethane 3803.79
    1,2-diethoxyethane 463.47
    benzonitrile 784.25
    trioctyl phosphate 144.87
    1-bromopropane 702.58
    gamma-valerolactone 1952.47
    n-decanol 142.07
    triethyl phosphate 265.41
    4-methyl-2-pentanol 113.67
    propionitrile 881.88
    vinylene carbonate 1565.77
    1,1,2-trichlorotrifluoroethane 1970.34
    DMS 519.92
    cumene 137.98
    2-octanol 143.59
    2-hexanone 427.48
    octyl acetate 227.1
    limonene 224.16
    1,2-dimethoxyethane 1620.8
    ethyl orthosilicate 227.17
    tributyl phosphate 177.02
    diacetone alcohol 428.76
    N,N-dimethylaniline 282.89
    acrylonitrile 1479.42
    aniline 429.01
    1,3-propanediol 607.97
    bromobenzene 820.53
    dibromomethane 2390.5
    1,1,2,2-tetrachloroethane 2977.44
    2-methyl-cyclohexyl acetate 292.31
    tetrabutyl urea 211.49
    diisobutyl methanol 133.72
    2-phenylethanol 363.58
    styrene 265.21
    dioctyl adipate 267.04
    dimethyl sulfate 1068.39
    ethyl butyrate 463.08
    methyl lactate 546.12
    butyl lactate 248.43
    diethyl carbonate 430.42
    propanediol butyl ether 305.57
    triethyl orthoformate 321.9
    p-tert-butyltoluene 159.32
    methyl 4-tert-butylbenzoate 355.82
    morpholine 1827.89
    tert-butylamine 265.04
    n-dodecanol 116.58
    dimethoxymethane 1366.91
    ethylene carbonate 1356.19
    cyrene 367.15
    2-ethoxyethyl acetate 458.7
    2-ethylhexyl acetate 301.83
    1,2,4-trichlorobenzene 910.33
    4-methylpyridine 910.17
    dibutyl ether 258.53
    2,6-dimethyl-4-heptanol 133.72
    DEF 813.66
    dimethyl isosorbide 536.4
    tetrachloroethylene 2412.85
    eugenol 326.03
    triacetin 457.75
    span 80 229.84
    1,4-butanediol 332.83
    1,1-dichloroethane 1714.87
    2-methyl-1-pentanol 178.52
    methyl formate 2170.87
    2-methyl-1-butanol 219.94
    n-decane 64.55
    butyronitrile 741.17
    3,7-dimethyl-1-octanol 164.27
    1-chlorooctane 215.36
    1-chlorotetradecane 92.38
    n-nonane 66.01
    undecane 49.72
    tert-butylcyclohexane 64.47
    cyclooctane 78.61
    cyclopentanol 595.7
    tetrahydropyran 1132.94
    tert-amyl methyl ether 269.96
    2,5,8-trioxanonane 544.0
    1-hexene 145.94
    2-isopropoxyethanol 447.49
    2,2,2-trifluoroethanol 881.53
    methyl butyrate 789.81

    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
Boronia megastigma 91771-36-7 Boronia megastigma Nees., fam. Rutaceae 0.04%