3,4,5-Trimethoxy-alpha-vinylbenzyl alcohol acetate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    110011-81-9

    Molecular formula
    C14H18O5

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 62.89%
    Sweet 52.06%
    Fruity 48.88%
    Spicy 46.13%
    Woody 39.48%
    Vanilla 38.36%
    Fresh 34.19%
    Powdery 32.82%
    Balsamic 32.18%
    Warm 31.0%

     

    Flavor
    Fruity 50.03%
    Bitter 35.31%
    Woody 23.74%
    Mild 21.66%
    Parsley 21.16%
    Odorless 19.98%
    Floral 19.87%
    Spice 19.77%
    Aniseed 19.77%
    Broom 19.63%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    6.53 (neutral)

    Molecular weight
    266.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    341°C

    Flash point

    • 138.05 ˚C est.

  • Synonyms

    • 1'-Acetoxyelemicin
    • 110011-81-9
    • 3,4,5-Trimethoxy-alpha-vinylbenzyl alcohol acetate
    • Benzyl alcohol, 3,4,5-trimethoxy-alpha-vinyl-, acetate
    • Benzenemethanol, alpha-ethenyl-3,4,5-trimethoxy-, acetate
    • DTXSID50911435
    • JSRJRLXSMHLTLD-UHFFFAOYSA-N
    • Benzene, 1,2,3-trimethoxy-5-(1-acetoxy-2-propenyl)-
    • 1-(3,4,5-TRIMETHOXYPHENYL)PROP-2-EN-1-YL ACETATE
    • 110011-81-9

  • Applications

    3,4,5-Trimethoxy-alpha-vinylbenzyl alcohol acetate (CAS 110011-81-9) is primarily used as an intermediate in fragrance chemistry and related cosmetic formulations. It may serve as a fragrance precursor or odorant-building block for personal care products. In polymer-related applications, it can function as a polymerizable monomer or crosslinking component for specialty coatings and UV-curable resins, enabling crosslinked networks. It may also act as a building block for specialty polymers and adhesive formulations. Use is formulation-dependent and subject to local regulations and limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 46.33
    methanol 55.63
    isopropanol 38.44
    water 0.33
    ethyl acetate 288.92
    n-propanol 39.4
    acetone 337.28
    n-butanol 39.56
    acetonitrile 206.74
    DMF 380.06
    toluene 53.37
    isobutanol 34.16
    1,4-dioxane 258.99
    methyl acetate 265.85
    THF 402.12
    2-butanone 198.49
    n-pentanol 41.63
    sec-butanol 43.16
    n-hexane 7.12
    ethylene glycol 34.25
    NMP 372.02
    cyclohexane 16.46
    DMSO 531.88
    n-butyl acetate 143.16
    n-octanol 31.38
    chloroform 533.8
    n-propyl acetate 161.92
    acetic acid 217.93
    dichloromethane 644.67
    cyclohexanone 268.55
    propylene glycol 24.52
    isopropyl acetate 143.35
    DMAc 420.27
    2-ethoxyethanol 158.17
    isopentanol 44.01
    n-heptane 6.44
    ethyl formate 176.14
    1,2-dichloroethane 460.81
    n-hexanol 47.96
    2-methoxyethanol 197.05
    isobutyl acetate 91.28
    tetrachloromethane 83.54
    n-pentyl acetate 83.29
    transcutol 185.77
    n-heptanol 28.82
    ethylbenzene 52.39
    MIBK 94.61
    2-propoxyethanol 130.45
    tert-butanol 80.3
    MTBE 98.35
    2-butoxyethanol 71.79
    propionic acid 111.72
    o-xylene 60.61
    formic acid 78.78
    diethyl ether 119.32
    m-xylene 48.97
    p-xylene 69.51
    chlorobenzene 147.7
    dimethyl carbonate 162.74
    n-octane 4.53
    formamide 137.62
    cyclopentanone 375.27
    2-pentanone 161.92
    anisole 130.61
    cyclopentyl methyl ether 162.36
    gamma-butyrolactone 488.27
    1-methoxy-2-propanol 130.19
    pyridine 187.87
    3-pentanone 155.14
    furfural 393.27
    n-dodecane 4.93
    diethylene glycol 127.96
    diisopropyl ether 37.92
    tert-amyl alcohol 74.0
    acetylacetone 295.78
    n-hexadecane 5.75
    acetophenone 160.58
    methyl propionate 226.03
    isopentyl acetate 119.79
    trichloroethylene 730.55
    n-nonanol 31.38
    cyclohexanol 76.11
    benzyl alcohol 98.99
    2-ethylhexanol 44.86
    isooctanol 28.59
    dipropyl ether 60.93
    1,2-dichlorobenzene 165.96
    ethyl lactate 90.2
    propylene carbonate 270.04
    n-methylformamide 161.37
    2-pentanol 33.98
    n-pentane 5.29
    1-propoxy-2-propanol 88.22
    1-methoxy-2-propyl acetate 155.04
    2-(2-methoxypropoxy) propanol 93.05
    mesitylene 36.53
    ε-caprolactone 255.63
    p-cymene 40.82
    epichlorohydrin 520.74
    1,1,1-trichloroethane 361.2
    2-aminoethanol 36.87
    morpholine-4-carbaldehyde 323.08
    sulfolane 547.33
    2,2,4-trimethylpentane 7.25
    2-methyltetrahydrofuran 237.54
    n-hexyl acetate 97.64
    isooctane 4.08
    2-(2-butoxyethoxy)ethanol 93.15
    sec-butyl acetate 104.0
    tert-butyl acetate 143.45
    decalin 14.9
    glycerin 65.9
    diglyme 221.66
    acrylic acid 123.36
    isopropyl myristate 43.77
    n-butyric acid 139.78
    acetyl acetate 235.2
    di(2-ethylhexyl) phthalate 51.78
    ethyl propionate 161.79
    nitromethane 497.42
    1,2-diethoxyethane 103.7
    benzonitrile 143.11
    trioctyl phosphate 36.82
    1-bromopropane 142.65
    gamma-valerolactone 384.57
    n-decanol 25.58
    triethyl phosphate 91.0
    4-methyl-2-pentanol 27.49
    propionitrile 114.45
    vinylene carbonate 257.69
    1,1,2-trichlorotrifluoroethane 336.28
    DMS 157.77
    cumene 42.2
    2-octanol 23.52
    2-hexanone 117.78
    octyl acetate 57.96
    limonene 55.41
    1,2-dimethoxyethane 304.1
    ethyl orthosilicate 78.1
    tributyl phosphate 49.38
    diacetone alcohol 130.3
    N,N-dimethylaniline 94.04
    acrylonitrile 165.64
    aniline 88.44
    1,3-propanediol 65.08
    bromobenzene 158.69
    dibromomethane 380.17
    1,1,2,2-tetrachloroethane 541.6
    2-methyl-cyclohexyl acetate 103.07
    tetrabutyl urea 67.06
    diisobutyl methanol 30.46
    2-phenylethanol 89.43
    styrene 64.04
    dioctyl adipate 75.84
    dimethyl sulfate 301.81
    ethyl butyrate 122.25
    methyl lactate 112.98
    butyl lactate 61.94
    diethyl carbonate 111.25
    propanediol butyl ether 55.39
    triethyl orthoformate 90.93
    p-tert-butyltoluene 37.31
    methyl 4-tert-butylbenzoate 109.91
    morpholine 245.04
    tert-butylamine 42.26
    n-dodecanol 21.55
    dimethoxymethane 281.55
    ethylene carbonate 222.78
    cyrene 139.76
    2-ethoxyethyl acetate 123.15
    2-ethylhexyl acetate 99.37
    1,2,4-trichlorobenzene 189.29
    4-methylpyridine 191.43
    dibutyl ether 50.25
    2,6-dimethyl-4-heptanol 30.46
    DEF 218.31
    dimethyl isosorbide 183.82
    tetrachloroethylene 363.82
    eugenol 99.96
    triacetin 124.48
    span 80 62.82
    1,4-butanediol 37.35
    1,1-dichloroethane 306.69
    2-methyl-1-pentanol 49.36
    methyl formate 205.16
    2-methyl-1-butanol 41.4
    n-decane 7.35
    butyronitrile 111.29
    3,7-dimethyl-1-octanol 35.72
    1-chlorooctane 33.84
    1-chlorotetradecane 17.23
    n-nonane 6.61
    undecane 5.81
    tert-butylcyclohexane 11.58
    cyclooctane 6.26
    cyclopentanol 88.46
    tetrahydropyran 182.44
    tert-amyl methyl ether 91.98
    2,5,8-trioxanonane 152.08
    1-hexene 28.25
    2-isopropoxyethanol 105.1
    2,2,2-trifluoroethanol 141.56
    methyl butyrate 205.0

    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