Vanillin propylene glycol acetal

Overview IFRA Request a quote

  • Identifiers

    CAS number
    68527-74-2

    Molecular formula
    C11H14O4

    SMILES
    CC1COC(O1)C2=CC(=C(C=C2)O)OC

  • Odor profile

    Vanilla 89.46%
    Sweet 83.97%
    Creamy 69.02%
    Phenolic 53.77%
    Powdery 52.25%
    Spicy 46.57%
    Balsamic 44.72%
    Smoky 42.73%
    Chocolate 41.9%
    Dairy 39.43%

    Scent© AI

  • Properties

    XLogP3-AA
    1.4

    Molecular weight
    210.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 154.00 °C. @ 1.00 mm Hg

    Flash point est.
    137.98 ˚C

    Solubility expt.

    • Insoluble in water and fat; soluble in triacetin
    • Soluble (in ethanol)

  • Synonyms

    • 2-Methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol
    • 68527-74-2
    • Vanillin propylene glycol acetal
    • Vanillin propyleneglycol acetal
    • Phenol, 2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)-
    • UNII-J6C2S16A8K
    • J6C2S16A8K
    • EINECS 271-279-6
    • FEMA NO. 3905
    • DTXSID10867661
    • VANILLIN 1,2-PROPYLENE GLYCOL ACETAL
    • Vanillin 1,2-propylene glycol acetal; 2-Methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol
    • UNII:J6C2S16A8K
    • SCHEMBL118412
    • Vanillin propylene glycol acetate
    • DTXCID40815832
    • CHEBI:174054
    • AKOS016011095
    • AS-61151
    • NS00064327
    • F71317
    • Vanillin Propylene Glycolacetal Acetal 75-85%
    • 2-methoxy-4-(4-methyl-1,3-dioxo-lan-2-yl)phenol
    • 2-Methoxy-4-(4-methyl-1,3-dioxolan-2-yl)-Phenol
    • Q27281265
    • 2-Methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol, 9CI
    • 2-Methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol, tech grade

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 263.0
    methanol 410.57
    isopropanol 189.65
    water 10.94
    ethyl acetate 383.48
    n-propanol 172.92
    acetone 476.33
    n-butanol 148.59
    acetonitrile 383.93
    DMF 705.56
    toluene 32.47
    isobutanol 125.59
    1,4-dioxane 360.49
    methyl acetate 322.5
    THF 594.9
    2-butanone 229.93
    n-pentanol 102.26
    sec-butanol 147.39
    n-hexane 2.17
    ethylene glycol 217.25
    NMP 368.38
    cyclohexane 5.09
    DMSO 1080.7
    n-butyl acetate 142.47
    n-octanol 44.14
    chloroform 453.42
    n-propyl acetate 183.41
    acetic acid 824.46
    dichloromethane 543.16
    cyclohexanone 224.58
    propylene glycol 175.47
    isopropyl acetate 216.54
    DMAc 569.29
    2-ethoxyethanol 461.16
    isopentanol 164.64
    n-heptane 3.37
    ethyl formate 220.07
    1,2-dichloroethane 328.74
    n-hexanol 79.82
    2-methoxyethanol 726.32
    isobutyl acetate 118.54
    tetrachloromethane 45.71
    n-pentyl acetate 67.94
    transcutol 892.17
    n-heptanol 43.28
    ethylbenzene 27.87
    MIBK 164.61
    2-propoxyethanol 260.4
    tert-butanol 373.73
    MTBE 242.46
    2-butoxyethanol 137.44
    propionic acid 267.38
    o-xylene 35.56
    formic acid 691.85
    diethyl ether 178.94
    m-xylene 39.56
    p-xylene 37.41
    chlorobenzene 89.43
    dimethyl carbonate 239.79
    n-octane 2.22
    formamide 1116.87
    cyclopentanone 377.62
    2-pentanone 216.58
    anisole 145.01
    cyclopentyl methyl ether 185.22
    gamma-butyrolactone 531.36
    1-methoxy-2-propanol 460.5
    pyridine 199.03
    3-pentanone 140.9
    furfural 483.4
    n-dodecane 3.05
    diethylene glycol 355.46
    diisopropyl ether 50.31
    tert-amyl alcohol 248.49
    acetylacetone 432.79
    n-hexadecane 3.44
    acetophenone 162.52
    methyl propionate 278.76
    isopentyl acetate 140.65
    trichloroethylene 680.41
    n-nonanol 43.12
    cyclohexanol 110.59
    benzyl alcohol 130.94
    2-ethylhexanol 54.36
    isooctanol 41.53
    dipropyl ether 55.06
    1,2-dichlorobenzene 109.49
    ethyl lactate 131.32
    propylene carbonate 300.36
    n-methylformamide 456.52
    2-pentanol 108.03
    n-pentane 2.94
    1-propoxy-2-propanol 153.65
    1-methoxy-2-propyl acetate 210.21
    2-(2-methoxypropoxy) propanol 185.51
    mesitylene 28.77
    ε-caprolactone 241.07
    p-cymene 28.2
    epichlorohydrin 632.53
    1,1,1-trichloroethane 226.56
    2-aminoethanol 271.86
    morpholine-4-carbaldehyde 532.45
    sulfolane 555.33
    2,2,4-trimethylpentane 5.85
    2-methyltetrahydrofuran 280.85
    n-hexyl acetate 101.34
    isooctane 4.48
    2-(2-butoxyethoxy)ethanol 217.08
    sec-butyl acetate 126.11
    tert-butyl acetate 245.04
    decalin 5.81
    glycerin 389.36
    diglyme 469.7
    acrylic acid 327.81
    isopropyl myristate 48.4
    n-butyric acid 320.47
    acetyl acetate 339.31
    di(2-ethylhexyl) phthalate 55.5
    ethyl propionate 155.69
    nitromethane 1494.0
    1,2-diethoxyethane 180.18
    benzonitrile 130.21
    trioctyl phosphate 39.98
    1-bromopropane 91.13
    gamma-valerolactone 488.43
    n-decanol 33.07
    triethyl phosphate 79.53
    4-methyl-2-pentanol 80.73
    propionitrile 168.91
    vinylene carbonate 294.87
    1,1,2-trichlorotrifluoroethane 558.85
    DMS 162.24
    cumene 26.42
    2-octanol 30.68
    2-hexanone 125.26
    octyl acetate 58.04
    limonene 37.89
    1,2-dimethoxyethane 483.8
    ethyl orthosilicate 72.15
    tributyl phosphate 56.78
    diacetone alcohol 292.47
    N,N-dimethylaniline 96.28
    acrylonitrile 269.72
    aniline 102.74
    1,3-propanediol 356.62
    bromobenzene 82.05
    dibromomethane 235.47
    1,1,2,2-tetrachloroethane 447.44
    2-methyl-cyclohexyl acetate 98.65
    tetrabutyl urea 68.38
    diisobutyl methanol 41.67
    2-phenylethanol 100.83
    styrene 36.91
    dioctyl adipate 83.45
    dimethyl sulfate 378.8
    ethyl butyrate 115.45
    methyl lactate 204.79
    butyl lactate 78.76
    diethyl carbonate 107.54
    propanediol butyl ether 138.92
    triethyl orthoformate 90.31
    p-tert-butyltoluene 28.03
    methyl 4-tert-butylbenzoate 129.4
    morpholine 424.63
    tert-butylamine 148.9
    n-dodecanol 26.44
    dimethoxymethane 510.79
    ethylene carbonate 234.97
    cyrene 195.66
    2-ethoxyethyl acetate 147.6
    2-ethylhexyl acetate 98.06
    1,2,4-trichlorobenzene 149.13
    4-methylpyridine 173.84
    dibutyl ether 53.44
    2,6-dimethyl-4-heptanol 41.67
    DEF 259.61
    dimethyl isosorbide 263.82
    tetrachloroethylene 264.06
    eugenol 124.82
    triacetin 175.64
    span 80 111.08
    1,4-butanediol 143.67
    1,1-dichloroethane 238.45
    2-methyl-1-pentanol 110.9
    methyl formate 425.23
    2-methyl-1-butanol 134.51
    n-decane 4.53
    butyronitrile 146.93
    3,7-dimethyl-1-octanol 57.18
    1-chlorooctane 25.18
    1-chlorotetradecane 11.68
    n-nonane 3.72
    undecane 3.59
    tert-butylcyclohexane 6.02
    cyclooctane 2.52
    cyclopentanol 132.91
    tetrahydropyran 188.2
    tert-amyl methyl ether 152.94
    2,5,8-trioxanonane 314.45
    1-hexene 13.41
    2-isopropoxyethanol 258.55
    2,2,2-trifluoroethanol 443.46
    methyl butyrate 188.71

    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