Veratryl acetate

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  • Identifiers

    CAS number
    53751-40-9

    Molecular formula
    C11H14O4

    SMILES
    CC(=O)OCC1=CC(=C(C=C1)OC)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Sweet 85.04%
    Floral 81.65%
    Vanilla 66.37%
    Fruity 57.52%
    Powdery 53.45%
    Anisic 47.46%
    Spicy 45.81%
    Balsamic 43.9%
    Fresh 39.37%
    Aromatic 34.82%

    Scent© AI

  • Properties

    XLogP3-AA
    1.2

    Molecular weight
    210.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    301°C

    Flash point est.
    123.37 ˚C

  • Synonyms

    • Veratryl acetate
    • 53751-40-9
    • 3,4-Dimethoxybenzyl acetate
    • (3,4-dimethoxyphenyl)methyl acetate
    • 3,4-dimethoxybenzylacetate
    • V2XJJ5X0KI
    • UNII-V2XJJ5X0KI
    • EINECS 258-743-3
    • Benzenemethanol, 3,4-dimethoxy-, acetate
    • bmse010075
    • rhodinyl acetate substitutes
    • 3,4-Dimethoxybenzyl acetate #
    • SCHEMBL6481775
    • CHEBI:86588
    • DTXSID80202025
    • NS00032834
    • Q27159271

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 84.1
    methanol 112.49
    isopropanol 76.95
    water 2.42
    ethyl acetate 223.28
    n-propanol 59.81
    acetone 320.72
    n-butanol 51.7
    acetonitrile 269.18
    DMF 469.58
    toluene 37.45
    isobutanol 49.5
    1,4-dioxane 336.14
    methyl acetate 232.11
    THF 377.08
    2-butanone 179.76
    n-pentanol 50.88
    sec-butanol 73.95
    n-hexane 8.03
    ethylene glycol 75.96
    NMP 301.86
    cyclohexane 11.54
    DMSO 843.62
    n-butyl acetate 98.35
    n-octanol 35.18
    chloroform 548.9
    n-propyl acetate 123.7
    acetic acid 282.34
    dichloromethane 663.85
    cyclohexanone 193.54
    propylene glycol 62.77
    isopropyl acetate 105.78
    DMAc 467.51
    2-ethoxyethanol 242.61
    isopentanol 54.59
    n-heptane 6.77
    ethyl formate 164.41
    1,2-dichloroethane 393.32
    n-hexanol 45.85
    2-methoxyethanol 316.22
    isobutyl acetate 68.49
    tetrachloromethane 65.61
    n-pentyl acetate 55.52
    transcutol 308.63
    n-heptanol 26.85
    ethylbenzene 42.79
    MIBK 84.43
    2-propoxyethanol 133.63
    tert-butanol 204.29
    MTBE 139.49
    2-butoxyethanol 69.12
    propionic acid 132.86
    o-xylene 51.08
    formic acid 159.45
    diethyl ether 125.64
    m-xylene 39.7
    p-xylene 58.45
    chlorobenzene 101.5
    dimethyl carbonate 115.82
    n-octane 4.55
    formamide 291.03
    cyclopentanone 268.67
    2-pentanone 125.45
    anisole 140.09
    cyclopentyl methyl ether 132.95
    gamma-butyrolactone 372.33
    1-methoxy-2-propanol 193.05
    pyridine 162.63
    3-pentanone 114.98
    furfural 351.99
    n-dodecane 4.87
    diethylene glycol 157.35
    diisopropyl ether 38.33
    tert-amyl alcohol 145.73
    acetylacetone 240.83
    n-hexadecane 5.5
    acetophenone 139.92
    methyl propionate 176.91
    isopentyl acetate 85.34
    trichloroethylene 623.86
    n-nonanol 33.35
    cyclohexanol 74.35
    benzyl alcohol 99.13
    2-ethylhexanol 38.11
    isooctanol 25.9
    dipropyl ether 61.91
    1,2-dichlorobenzene 124.09
    ethyl lactate 84.2
    propylene carbonate 196.82
    n-methylformamide 218.09
    2-pentanol 43.91
    n-pentane 5.23
    1-propoxy-2-propanol 90.2
    1-methoxy-2-propyl acetate 119.02
    2-(2-methoxypropoxy) propanol 107.84
    mesitylene 29.17
    ε-caprolactone 192.94
    p-cymene 31.43
    epichlorohydrin 445.54
    1,1,1-trichloroethane 286.17
    2-aminoethanol 81.35
    morpholine-4-carbaldehyde 371.12
    sulfolane 463.64
    2,2,4-trimethylpentane 7.13
    2-methyltetrahydrofuran 206.86
    n-hexyl acetate 78.32
    isooctane 4.26
    2-(2-butoxyethoxy)ethanol 113.24
    sec-butyl acetate 78.1
    tert-butyl acetate 133.91
    decalin 11.64
    glycerin 134.36
    diglyme 265.35
    acrylic acid 146.09
    isopropyl myristate 37.3
    n-butyric acid 138.69
    acetyl acetate 167.14
    di(2-ethylhexyl) phthalate 39.8
    ethyl propionate 122.94
    nitromethane 678.43
    1,2-diethoxyethane 119.33
    benzonitrile 113.23
    trioctyl phosphate 27.69
    1-bromopropane 123.0
    gamma-valerolactone 343.68
    n-decanol 26.86
    triethyl phosphate 74.88
    4-methyl-2-pentanol 31.53
    propionitrile 131.25
    vinylene carbonate 199.36
    1,1,2-trichlorotrifluoroethane 341.26
    DMS 120.58
    cumene 35.6
    2-octanol 23.91
    2-hexanone 101.84
    octyl acetate 46.75
    limonene 41.05
    1,2-dimethoxyethane 386.51
    ethyl orthosilicate 63.67
    tributyl phosphate 39.82
    diacetone alcohol 145.49
    N,N-dimethylaniline 103.08
    acrylonitrile 182.04
    aniline 85.0
    1,3-propanediol 114.7
    bromobenzene 105.04
    dibromomethane 355.17
    1,1,2,2-tetrachloroethane 484.96
    2-methyl-cyclohexyl acetate 81.04
    tetrabutyl urea 53.85
    diisobutyl methanol 29.21
    2-phenylethanol 74.27
    styrene 52.3
    dioctyl adipate 65.15
    dimethyl sulfate 254.06
    ethyl butyrate 96.86
    methyl lactate 111.04
    butyl lactate 51.02
    diethyl carbonate 89.11
    propanediol butyl ether 69.79
    triethyl orthoformate 76.16
    p-tert-butyltoluene 30.33
    methyl 4-tert-butylbenzoate 95.17
    morpholine 311.07
    tert-butylamine 91.32
    n-dodecanol 22.07
    dimethoxymethane 277.88
    ethylene carbonate 160.85
    cyrene 136.82
    2-ethoxyethyl acetate 96.65
    2-ethylhexyl acetate 68.4
    1,2,4-trichlorobenzene 150.19
    4-methylpyridine 156.61
    dibutyl ether 52.82
    2,6-dimethyl-4-heptanol 29.21
    DEF 192.38
    dimethyl isosorbide 182.4
    tetrachloroethylene 291.54
    eugenol 92.46
    triacetin 117.3
    span 80 66.11
    1,4-butanediol 58.74
    1,1-dichloroethane 290.15
    2-methyl-1-pentanol 55.0
    methyl formate 226.09
    2-methyl-1-butanol 50.95
    n-decane 7.56
    butyronitrile 114.96
    3,7-dimethyl-1-octanol 38.67
    1-chlorooctane 30.11
    1-chlorotetradecane 14.83
    n-nonane 7.0
    undecane 5.88
    tert-butylcyclohexane 10.99
    cyclooctane 4.94
    cyclopentanol 89.69
    tetrahydropyran 174.94
    tert-amyl methyl ether 105.81
    2,5,8-trioxanonane 192.09
    1-hexene 30.36
    2-isopropoxyethanol 140.51
    2,2,2-trifluoroethanol 181.27
    methyl butyrate 163.11

    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