1,2,3,5-Tetramethoxybenzene

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  • Identifiers

    CAS number
    5333-45-9

    Molecular formula
    C10H14O4

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

  • Odor profile

    Spicy 55.93%
    Phenolic 49.75%
    Vanilla 43.31%
    Smoky 38.38%
    Earthy 37.56%
    Woody 36.97%
    Floral 35.83%
    Fruity 35.37%
    Sweet 33.19%
    Balsamic 30.64%

    Scent© AI

  • Properties

    XLogP3-AA
    1.4

    Molecular weight
    198.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    288°C

    Flash point est.
    105.06 ˚C

  • Synonyms

    • 1,2,3,5-Tetramethoxybenzene
    • 5333-45-9
    • NSC2408
    • SCHEMBL686849
    • DTXSID50967932
    • OIHYPOOSWQXFMZ-UHFFFAOYSA-N
    • 1,3,5-TETRAMETHOXYBENZENE
    • NSC-2408
    • 1,2,3,5-Tetramethoxybenzene, 98%
    • AKOS005087121
    • FT68065
    • CS-0363736
    • G62838
    • 2X-5005

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 140.61
    methanol 191.98
    isopropanol 88.05
    water 2.34
    ethyl acetate 267.87
    n-propanol 105.78
    acetone 371.09
    n-butanol 84.23
    acetonitrile 314.33
    DMF 602.87
    toluene 79.85
    isobutanol 71.81
    1,4-dioxane 573.97
    methyl acetate 363.91
    THF 550.5
    2-butanone 231.97
    n-pentanol 66.74
    sec-butanol 76.75
    n-hexane 9.87
    ethylene glycol 222.45
    NMP 438.25
    cyclohexane 52.39
    DMSO 606.3
    n-butyl acetate 124.31
    n-octanol 51.0
    chloroform 934.47
    n-propyl acetate 142.25
    acetic acid 369.73
    dichloromethane 981.7
    cyclohexanone 366.9
    propylene glycol 104.76
    isopropyl acetate 116.04
    DMAc 363.9
    2-ethoxyethanol 244.97
    isopentanol 59.37
    n-heptane 17.4
    ethyl formate 363.18
    1,2-dichloroethane 570.38
    n-hexanol 83.94
    2-methoxyethanol 484.18
    isobutyl acetate 77.72
    tetrachloromethane 235.62
    n-pentyl acetate 83.62
    transcutol 190.11
    n-heptanol 51.24
    ethylbenzene 57.48
    MIBK 67.62
    2-propoxyethanol 213.1
    tert-butanol 120.65
    MTBE 94.48
    2-butoxyethanol 114.5
    propionic acid 221.17
    o-xylene 75.02
    formic acid 198.54
    diethyl ether 119.37
    m-xylene 54.69
    p-xylene 86.64
    chlorobenzene 213.17
    dimethyl carbonate 197.74
    n-octane 10.1
    formamide 342.76
    cyclopentanone 478.53
    2-pentanone 139.2
    anisole 141.8
    cyclopentyl methyl ether 172.52
    gamma-butyrolactone 704.9
    1-methoxy-2-propanol 209.94
    pyridine 419.0
    3-pentanone 145.29
    furfural 755.77
    n-dodecane 9.49
    diethylene glycol 323.49
    diisopropyl ether 33.31
    tert-amyl alcohol 90.35
    acetylacetone 255.64
    n-hexadecane 11.15
    acetophenone 159.4
    methyl propionate 252.68
    isopentyl acetate 100.57
    trichloroethylene 1041.31
    n-nonanol 48.13
    cyclohexanol 140.69
    benzyl alcohol 151.15
    2-ethylhexanol 61.54
    isooctanol 40.53
    dipropyl ether 70.55
    1,2-dichlorobenzene 243.13
    ethyl lactate 113.41
    propylene carbonate 396.28
    n-methylformamide 423.49
    2-pentanol 47.98
    n-pentane 10.89
    1-propoxy-2-propanol 109.51
    1-methoxy-2-propyl acetate 141.01
    2-(2-methoxypropoxy) propanol 89.11
    mesitylene 39.16
    ε-caprolactone 328.75
    p-cymene 50.22
    epichlorohydrin 683.82
    1,1,1-trichloroethane 510.83
    2-aminoethanol 151.29
    morpholine-4-carbaldehyde 509.14
    sulfolane 672.88
    2,2,4-trimethylpentane 9.31
    2-methyltetrahydrofuran 283.94
    n-hexyl acetate 100.02
    isooctane 6.12
    2-(2-butoxyethoxy)ethanol 112.56
    sec-butyl acetate 74.37
    tert-butyl acetate 110.66
    decalin 25.64
    glycerin 221.04
    diglyme 280.15
    acrylic acid 271.75
    isopropyl myristate 46.28
    n-butyric acid 217.14
    acetyl acetate 230.49
    di(2-ethylhexyl) phthalate 60.62
    ethyl propionate 138.35
    nitromethane 787.13
    1,2-diethoxyethane 97.87
    benzonitrile 208.45
    trioctyl phosphate 47.84
    1-bromopropane 157.01
    gamma-valerolactone 611.45
    n-decanol 38.61
    triethyl phosphate 94.97
    4-methyl-2-pentanol 29.28
    propionitrile 182.16
    vinylene carbonate 445.02
    1,1,2-trichlorotrifluoroethane 707.5
    DMS 147.57
    cumene 45.27
    2-octanol 34.29
    2-hexanone 101.79
    octyl acetate 61.57
    limonene 68.0
    1,2-dimethoxyethane 431.59
    ethyl orthosilicate 79.04
    tributyl phosphate 54.71
    diacetone alcohol 130.23
    N,N-dimethylaniline 97.96
    acrylonitrile 304.93
    aniline 144.92
    1,3-propanediol 205.15
    bromobenzene 222.28
    dibromomethane 511.4
    1,1,2,2-tetrachloroethane 795.98
    2-methyl-cyclohexyl acetate 101.84
    tetrabutyl urea 68.85
    diisobutyl methanol 38.79
    2-phenylethanol 130.03
    styrene 77.15
    dioctyl adipate 86.03
    dimethyl sulfate 324.47
    ethyl butyrate 123.43
    methyl lactate 172.14
    butyl lactate 69.01
    diethyl carbonate 124.14
    propanediol butyl ether 82.85
    triethyl orthoformate 94.69
    p-tert-butyltoluene 48.7
    methyl 4-tert-butylbenzoate 127.58
    morpholine 460.04
    tert-butylamine 66.72
    n-dodecanol 32.72
    dimethoxymethane 375.58
    ethylene carbonate 379.73
    cyrene 161.18
    2-ethoxyethyl acetate 119.48
    2-ethylhexyl acetate 84.54
    1,2,4-trichlorobenzene 285.33
    4-methylpyridine 269.04
    dibutyl ether 53.85
    2,6-dimethyl-4-heptanol 38.79
    DEF 214.69
    dimethyl isosorbide 191.3
    tetrachloroethylene 650.56
    eugenol 117.81
    triacetin 122.56
    span 80 82.5
    1,4-butanediol 99.05
    1,1-dichloroethane 379.18
    2-methyl-1-pentanol 54.5
    methyl formate 533.69
    2-methyl-1-butanol 61.34
    n-decane 14.06
    butyronitrile 152.42
    3,7-dimethyl-1-octanol 44.46
    1-chlorooctane 48.97
    1-chlorotetradecane 24.89
    n-nonane 13.37
    undecane 11.17
    tert-butylcyclohexane 18.32
    cyclooctane 17.34
    cyclopentanol 192.55
    tetrahydropyran 295.94
    tert-amyl methyl ether 74.85
    2,5,8-trioxanonane 189.21
    1-hexene 29.67
    2-isopropoxyethanol 132.17
    2,2,2-trifluoroethanol 265.88
    methyl butyrate 195.12

    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
Cymbidium goeringii flower headspace Cymbidium goeringii (Rchb.f.) Rchb.f., fam Orchidaceae 3.8%
Rose (China) 2 8007-01-7 Rosa damascena Mill., fam. Rosaceae 0.06%