3,4,5-Trimethoxybenzyl alcohol

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  • Identifiers

    CAS number
    3840-31-1

    Molecular formula
    C10H14O4

    SMILES
    COC1=CC(=CC(=C1OC)OC)CO

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Vanilla 67.31%
    Floral 54.76%
    Balsamic 46.78%
    Spicy 43.09%
    Sweet 42.99%
    Phenolic 41.93%
    Fruity 41.02%
    Powdery 38.13%
    Woody 33.47%
    Creamy 33.01%

     

    Flavor
    Bitter 39.4%
    Woody 37.51%
    Spice 37.5%
    Phenolic 35.29%
    Smoky 35.2%
    Vanilla 35.17%
    Sweet 33.46%
    Musty 31.1%
    Creamy 29.78%
    Bacon 28.22%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    7.94 (neutral)

    Molecular weight
    198.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    336°C

    Flash point

    • 130.2 ˚C est.

  • Synonyms

    • 3,4,5-Trimethoxybenzyl alcohol
    • 3840-31-1
    • (3,4,5-Trimethoxyphenyl)methanol
    • 3,4,5-Trimethoxybenzenemethanol
    • 3,4,5-Trimethoxybenzylic alcohol
    • 3,4,5-trimethoxyphenylmethanol
    • MDV94PFP33
    • EINECS 223-331-4
    • NSC 53949
    • NSC-53949
    • AI3-38651
    • DTXSID20191742
    • RefChem:90936
    • 3,4,5Trimethoxybenzylic alcohol
    • DTXCID60114233
    • Benzenemethanol, 3,4,5trimethoxy
    • 223-331-4
    • InChI=1/C10H14O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5,11H,6H2,1-3H
    • QPHLRCUCFDXGLY-UHFFFAOYSA-N
    • Benzenemethanol, 3,4,5-trimethoxy-
    • MFCD00004639
    • Benzyl alcohol, 3,4,5-trimethoxy-
    • (3,4,5-trimethoxyphenyl)methan-1-ol
    • 3,4,5-Trimethoxybenzenemethanol; 3,4,5-Trimethoxyphenylmethanol; NSC 53949
    • NSC53949
    • UNII-MDV94PFP33
    • SCHEMBL1122521
    • SCHEMBL1587546
    • SCHEMBL6197316
    • 3,4,5-trimethoxy benzyl alcohol
    • 3,4,5-trimethoxy-benzyl alcohol
    • 3,4,5-trimethoxyl benzyl alcohol
    • (3,4,5-trimethoxyphenyl)-methanol
    • BB_NC-03356
    • SBB063534
    • (3,4,5-Trimethoxyphenyl)methanol #
    • AKOS000119492
    • AC-5985
    • CS-W021081
    • FT28527
    • 3,4,5-Trimethoxybenzyl alcohol, 97%
    • AS-18786
    • SY015807
    • DB-293834
    • NS00030379
    • ST50307936
    • T1103
    • EN300-20134
    • F008831
    • 3840-31-1

  • Applications

    3,4,5-Trimethoxybenzyl alcohol is primarily used as a synthetic intermediate in fragrance chemistry, serving as a building block for anisyl-type aroma compounds and other fragrance precursors. It is also used in cosmetics and personal care as a fragrance ingredient or formulation solvent. The compound may be evaluated for use as a flavor/aroma ingredient in specialized applications. In industrial manufacturing, it functions as a chemical intermediate for the synthesis of specialty chemicals. In coatings and inks, it can be used as a precursor for aroma-containing additives in scented coatings and inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 167.38
    methanol 250.39
    isopropanol 95.06
    water 4.82
    ethyl acetate 182.15
    n-propanol 109.76
    acetone 340.76
    n-butanol 76.08
    acetonitrile 331.27
    DMF 610.73
    toluene 27.74
    isobutanol 69.12
    1,4-dioxane 444.14
    methyl acetate 289.21
    THF 393.86
    2-butanone 191.8
    n-pentanol 65.83
    sec-butanol 76.44
    n-hexane 3.61
    ethylene glycol 365.46
    NMP 354.19
    cyclohexane 16.52
    DMSO 886.02
    n-butyl acetate 99.3
    n-octanol 49.42
    chloroform 513.97
    n-propyl acetate 126.6
    acetic acid 478.65
    dichloromethane 754.54
    cyclohexanone 267.04
    propylene glycol 136.36
    isopropyl acetate 80.02
    DMAc 307.56
    2-ethoxyethanol 294.52
    isopentanol 53.67
    n-heptane 8.42
    ethyl formate 327.07
    1,2-dichloroethane 453.15
    n-hexanol 69.85
    2-methoxyethanol 523.04
    isobutyl acetate 63.18
    tetrachloromethane 112.7
    n-pentyl acetate 70.85
    transcutol 211.01
    n-heptanol 53.07
    ethylbenzene 30.49
    MIBK 52.42
    2-propoxyethanol 192.66
    tert-butanol 121.46
    MTBE 64.03
    2-butoxyethanol 123.7
    propionic acid 228.61
    o-xylene 34.46
    formic acid 322.37
    diethyl ether 80.71
    m-xylene 26.03
    p-xylene 44.43
    chlorobenzene 110.72
    dimethyl carbonate 150.47
    n-octane 5.55
    formamide 553.73
    cyclopentanone 376.77
    2-pentanone 106.9
    anisole 103.93
    cyclopentyl methyl ether 108.57
    gamma-butyrolactone 603.27
    1-methoxy-2-propanol 225.14
    pyridine 257.44
    3-pentanone 91.21
    furfural 587.34
    n-dodecane 5.54
    diethylene glycol 317.71
    diisopropyl ether 21.18
    tert-amyl alcohol 84.57
    acetylacetone 194.31
    n-hexadecane 6.3
    acetophenone 131.16
    methyl propionate 178.73
    isopentyl acetate 75.99
    trichloroethylene 737.82
    n-nonanol 44.43
    cyclohexanol 98.14
    benzyl alcohol 124.39
    2-ethylhexanol 48.55
    isooctanol 42.37
    dipropyl ether 50.07
    1,2-dichlorobenzene 146.12
    ethyl lactate 113.02
    propylene carbonate 316.6
    n-methylformamide 507.55
    2-pentanol 42.34
    n-pentane 4.29
    1-propoxy-2-propanol 107.72
    1-methoxy-2-propyl acetate 108.92
    2-(2-methoxypropoxy) propanol 84.16
    mesitylene 21.34
    ε-caprolactone 252.2
    p-cymene 33.28
    epichlorohydrin 557.72
    1,1,1-trichloroethane 258.85
    2-aminoethanol 230.03
    morpholine-4-carbaldehyde 435.67
    sulfolane 689.34
    2,2,4-trimethylpentane 4.56
    2-methyltetrahydrofuran 194.33
    n-hexyl acetate 86.46
    isooctane 3.26
    2-(2-butoxyethoxy)ethanol 112.21
    sec-butyl acetate 56.06
    tert-butyl acetate 76.99
    decalin 10.21
    glycerin 292.26
    diglyme 293.78
    acrylic acid 284.95
    isopropyl myristate 34.51
    n-butyric acid 208.4
    acetyl acetate 148.75
    di(2-ethylhexyl) phthalate 48.77
    ethyl propionate 95.68
    nitromethane 944.06
    1,2-diethoxyethane 81.86
    benzonitrile 158.84
    trioctyl phosphate 41.51
    1-bromopropane 88.83
    gamma-valerolactone 480.06
    n-decanol 34.07
    triethyl phosphate 66.89
    4-methyl-2-pentanol 24.56
    propionitrile 150.13
    vinylene carbonate 346.31
    1,1,2-trichlorotrifluoroethane 588.99
    DMS 107.85
    cumene 27.31
    2-octanol 35.09
    2-hexanone 88.52
    octyl acetate 50.07
    limonene 44.88
    1,2-dimethoxyethane 406.37
    ethyl orthosilicate 55.53
    tributyl phosphate 44.16
    diacetone alcohol 113.81
    N,N-dimethylaniline 71.69
    acrylonitrile 285.1
    aniline 87.36
    1,3-propanediol 243.92
    bromobenzene 104.99
    dibromomethane 364.28
    1,1,2,2-tetrachloroethane 523.56
    2-methyl-cyclohexyl acetate 77.83
    tetrabutyl urea 57.71
    diisobutyl methanol 29.32
    2-phenylethanol 104.62
    styrene 39.24
    dioctyl adipate 66.99
    dimethyl sulfate 273.14
    ethyl butyrate 87.99
    methyl lactate 160.0
    butyl lactate 68.29
    diethyl carbonate 83.99
    propanediol butyl ether 104.78
    triethyl orthoformate 69.45
    p-tert-butyltoluene 31.14
    methyl 4-tert-butylbenzoate 110.27
    morpholine 384.98
    tert-butylamine 54.79
    n-dodecanol 26.79
    dimethoxymethane 315.43
    ethylene carbonate 277.71
    cyrene 150.1
    2-ethoxyethyl acetate 101.09
    2-ethylhexyl acetate 60.21
    1,2,4-trichlorobenzene 167.39
    4-methylpyridine 161.53
    dibutyl ether 38.49
    2,6-dimethyl-4-heptanol 29.32
    DEF 168.49
    dimethyl isosorbide 161.68
    tetrachloroethylene 420.63
    eugenol 109.86
    triacetin 114.14
    span 80 76.37
    1,4-butanediol 132.15
    1,1-dichloroethane 239.07
    2-methyl-1-pentanol 48.52
    methyl formate 595.28
    2-methyl-1-butanol 54.62
    n-decane 8.26
    butyronitrile 126.22
    3,7-dimethyl-1-octanol 37.28
    1-chlorooctane 34.25
    1-chlorotetradecane 15.86
    n-nonane 7.77
    undecane 6.62
    tert-butylcyclohexane 7.99
    cyclooctane 6.25
    cyclopentanol 146.65
    tetrahydropyran 185.3
    tert-amyl methyl ether 47.06
    2,5,8-trioxanonane 172.64
    1-hexene 14.26
    2-isopropoxyethanol 147.11
    2,2,2-trifluoroethanol 281.21
    methyl butyrate 156.9

    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