Ethyl vanillin propylene glycol acetal

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  • Identifiers

    CAS number
    68527-76-4

    Molecular formula
    C12H16O4

    SMILES
    CCOC1=C(C=CC(=C1)C2OCC(O2)C)O

  • Odor profile

    Vanilla 88.64%
    Sweet 80.54%
    Creamy 67.1%
    Phenolic 49.75%
    Powdery 49.34%
    Spicy 48.0%
    Balsamic 42.75%
    Smoky 40.37%
    Chocolate 38.21%
    Milky 37.73%

    Scent© AI

  • Properties

    XLogP3-AA
    1.7

    Molecular weight
    224.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 160.00 °C. @ 1.00 mm Hg

    Flash point est.
    143.51 ˚C

    Solubility expt.

    • insoluble in water; soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • 68527-76-4
    • 2-Ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol
    • Ethyl vanillin propylene glycol acetal
    • Ethyl vanillin propyleneglycol acetal
    • Phenol, 2-ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)-
    • Ethylvanillin propylene glycol acetal
    • PP1L5D6A0Y
    • EINECS 271-281-7
    • FEMA NO. 3838
    • DTXSID70867662
    • ETHYL VANILLIN PROPYLENE GLYCOL ACETAL [FHFI]
    • 2-(3-ETHOXY-4-HYDROXYPHENYL)-4-METHYL-1,3-DIOXOLANE
    • UNII-PP1L5D6A0Y
    • MFCD00036667
    • SCHEMBL367278
    • Ethyl Vanillin Propylene Glycol Acetal(Contain Isomer)
    • DTXCID00815833
    • CHEBI:174153
    • IFUIILQWHYHIEK-UHFFFAOYSA-N
    • AKOS016011105
    • AS-17713
    • DB-055164
    • NS00063067
    • D95692
    • 2-Ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)-Phenol
    • Q27286684
    • 2-Ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol, 9CI
    • 271-281-7

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 354.84
    methanol 525.36
    isopropanol 225.88
    water 3.98
    ethyl acetate 478.66
    n-propanol 230.32
    acetone 742.76
    n-butanol 200.72
    acetonitrile 561.22
    DMF 877.73
    toluene 66.39
    isobutanol 164.29
    1,4-dioxane 426.25
    methyl acetate 446.85
    THF 745.3
    2-butanone 374.87
    n-pentanol 151.55
    sec-butanol 189.77
    n-hexane 5.12
    ethylene glycol 209.61
    NMP 525.28
    cyclohexane 10.58
    DMSO 1796.53
    n-butyl acetate 296.44
    n-octanol 71.35
    chloroform 895.7
    n-propyl acetate 299.77
    acetic acid 889.26
    dichloromethane 1123.69
    cyclohexanone 359.51
    propylene glycol 178.65
    isopropyl acetate 282.21
    DMAc 772.03
    2-ethoxyethanol 505.33
    isopentanol 210.2
    n-heptane 5.88
    ethyl formate 303.61
    1,2-dichloroethane 678.31
    n-hexanol 130.8
    2-methoxyethanol 682.59
    isobutyl acetate 192.24
    tetrachloromethane 80.22
    n-pentyl acetate 126.72
    transcutol 1283.55
    n-heptanol 60.67
    ethylbenzene 56.5
    MIBK 218.99
    2-propoxyethanol 337.6
    tert-butanol 372.41
    MTBE 319.83
    2-butoxyethanol 175.27
    propionic acid 331.84
    o-xylene 63.54
    formic acid 534.27
    diethyl ether 250.87
    m-xylene 63.99
    p-xylene 78.94
    chlorobenzene 190.91
    dimethyl carbonate 273.37
    n-octane 3.93
    formamide 886.37
    cyclopentanone 571.06
    2-pentanone 310.29
    anisole 221.69
    cyclopentyl methyl ether 235.4
    gamma-butyrolactone 776.6
    1-methoxy-2-propanol 452.92
    pyridine 332.7
    3-pentanone 222.54
    furfural 671.68
    n-dodecane 5.26
    diethylene glycol 393.82
    diisopropyl ether 72.3
    tert-amyl alcohol 279.91
    acetylacetone 607.46
    n-hexadecane 6.02
    acetophenone 256.65
    methyl propionate 339.63
    isopentyl acetate 255.47
    trichloroethylene 1258.21
    n-nonanol 66.2
    cyclohexanol 147.14
    benzyl alcohol 194.84
    2-ethylhexanol 88.96
    isooctanol 57.29
    dipropyl ether 90.95
    1,2-dichlorobenzene 214.01
    ethyl lactate 167.5
    propylene carbonate 435.02
    n-methylformamide 499.34
    2-pentanol 140.33
    n-pentane 5.72
    1-propoxy-2-propanol 213.38
    1-methoxy-2-propyl acetate 299.76
    2-(2-methoxypropoxy) propanol 245.01
    mesitylene 44.68
    ε-caprolactone 369.21
    p-cymene 49.64
    epichlorohydrin 847.51
    1,1,1-trichloroethane 411.52
    2-aminoethanol 268.9
    morpholine-4-carbaldehyde 628.98
    sulfolane 819.6
    2,2,4-trimethylpentane 10.0
    2-methyltetrahydrofuran 385.46
    n-hexyl acetate 178.5
    isooctane 7.01
    2-(2-butoxyethoxy)ethanol 297.52
    sec-butyl acetate 195.85
    tert-butyl acetate 299.21
    decalin 11.98
    glycerin 333.8
    diglyme 622.88
    acrylic acid 388.52
    isopropyl myristate 79.24
    n-butyric acid 405.02
    acetyl acetate 446.16
    di(2-ethylhexyl) phthalate 86.87
    ethyl propionate 233.22
    nitromethane 1606.2
    1,2-diethoxyethane 291.44
    benzonitrile 232.53
    trioctyl phosphate 63.2
    1-bromopropane 207.46
    gamma-valerolactone 631.25
    n-decanol 51.38
    triethyl phosphate 116.12
    4-methyl-2-pentanol 100.88
    propionitrile 255.83
    vinylene carbonate 413.33
    1,1,2-trichlorotrifluoroethane 665.05
    DMS 256.57
    cumene 48.05
    2-octanol 44.77
    2-hexanone 210.49
    octyl acetate 97.48
    limonene 67.88
    1,2-dimethoxyethane 632.48
    ethyl orthosilicate 103.9
    tributyl phosphate 94.83
    diacetone alcohol 320.41
    N,N-dimethylaniline 142.38
    acrylonitrile 412.78
    aniline 157.6
    1,3-propanediol 340.43
    bromobenzene 195.98
    dibromomethane 564.39
    1,1,2,2-tetrachloroethane 827.5
    2-methyl-cyclohexyl acetate 153.1
    tetrabutyl urea 111.29
    diisobutyl methanol 60.55
    2-phenylethanol 158.58
    styrene 78.59
    dioctyl adipate 132.29
    dimethyl sulfate 469.75
    ethyl butyrate 193.02
    methyl lactate 236.29
    butyl lactate 129.96
    diethyl carbonate 172.54
    propanediol butyl ether 196.05
    triethyl orthoformate 135.7
    p-tert-butyltoluene 46.91
    methyl 4-tert-butylbenzoate 182.53
    morpholine 495.04
    tert-butylamine 173.26
    n-dodecanol 41.26
    dimethoxymethane 540.59
    ethylene carbonate 336.28
    cyrene 234.47
    2-ethoxyethyl acetate 237.56
    2-ethylhexyl acetate 189.28
    1,2,4-trichlorobenzene 265.52
    4-methylpyridine 308.05
    dibutyl ether 97.45
    2,6-dimethyl-4-heptanol 60.55
    DEF 372.12
    dimethyl isosorbide 346.69
    tetrachloroethylene 478.38
    eugenol 178.52
    triacetin 281.28
    span 80 151.95
    1,4-butanediol 160.51
    1,1-dichloroethane 476.59
    2-methyl-1-pentanol 160.57
    methyl formate 480.92
    2-methyl-1-butanol 183.3
    n-decane 8.06
    butyronitrile 227.7
    3,7-dimethyl-1-octanol 87.45
    1-chlorooctane 47.08
    1-chlorotetradecane 21.38
    n-nonane 6.76
    undecane 6.23
    tert-butylcyclohexane 11.13
    cyclooctane 4.61
    cyclopentanol 167.53
    tetrahydropyran 273.18
    tert-amyl methyl ether 203.69
    2,5,8-trioxanonane 407.37
    1-hexene 33.85
    2-isopropoxyethanol 308.73
    2,2,2-trifluoroethanol 394.19
    methyl butyrate 308.73

    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