Phenol, 2-methoxy-4-(4-methyl-1,3-dioxan-2-yl)-

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  • Identifiers

    CAS number
    6329-01-7

    Molecular formula
    C12H16O4

    SMILES
    CC1CCOC(O1)C2=CC(=C(C=C2)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 87.88%
    Vanilla 85.51%
    Creamy 61.66%
    Spicy 54.75%
    Phenolic 52.74%
    Powdery 50.6%
    Floral 47.57%
    Aromatic 41.37%
    Balsamic 41.3%
    Smoky 39.99%

     

    Flavor
    Sweet 58.8%
    Bitter 58.05%
    Woody 43.0%
    Vanilla 35.66%
    Caramel 32.34%
    Smoky 31.91%
    Spice 31.07%
    Spicy 30.32%
    Powdery 28.18%
    Coconut 27.67%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    7.64 (neutral)

    Molecular weight
    224.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    338°C

    Flash point

    • 137.21 ˚C est.

  • Synonyms

    • 2-Methoxy-4-(4-methyl-1,3-dioxan-2-yl)phenol
    • 6329-01-7
    • Vanillin 1,3-butylene glycol acetal
    • Phenol, 2-methoxy-4-(4-methyl-1,3-dioxan-2-yl)-
    • DTXSID30884259
    • Phenol, 2-methoxy-4-(4-methyl-m-dioxan-2-yl)-
    • EINECS 228-700-3
    • NSC 44028
    • AI3-20468
    • RefChem:172767
    • DTXCID101023713
    • Phenol, 2-methoxy-4-(4-methyl-m-dioxan-2-yl)-(8CI)
    • 228-700-3
    • Phenol,3-dioxan-2-yl)-
    • SCHEMBL11913915
    • ZVJUAEJHNVXHHC-UHFFFAOYSA-N
    • NSC44028
    • NSC-44028
    • NS00044194
    • 6329-01-7

  • Applications

    Phenol, 2-methoxy-4-(4-methyl-1,3-dioxan-2-yl)-, CAS 6329-01-7, is primarily used as an organic synthesis intermediate, particularly for protected phenol/diol motifs in multi-step sequences. It commonly serves as a protecting group for phenol/diol functionalities, enabling selective transformations in pharmaceutical and agricultural chemical syntheses. The compound also acts as a building block in polymer and coating formulations, contributing to resins, adhesives, and related industrial products. Its protecting-group capability and versatility make it a useful precursor in various plastic and binder systems used in industrial manufacturing, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 213.82
    methanol 304.78
    isopropanol 143.1
    water 2.19
    ethyl acetate 370.39
    n-propanol 154.49
    acetone 365.07
    n-butanol 129.28
    acetonitrile 279.13
    DMF 541.63
    toluene 29.41
    isobutanol 94.68
    1,4-dioxane 309.59
    methyl acetate 286.74
    THF 433.6
    2-butanone 215.06
    n-pentanol 80.02
    sec-butanol 114.18
    n-hexane 1.61
    ethylene glycol 137.97
    NMP 273.91
    cyclohexane 4.67
    DMSO 1316.61
    n-butyl acetate 151.46
    n-octanol 32.41
    chloroform 403.57
    n-propyl acetate 161.58
    acetic acid 616.15
    dichloromethane 523.33
    cyclohexanone 240.25
    propylene glycol 128.2
    isopropyl acetate 178.4
    DMAc 454.87
    2-ethoxyethanol 332.56
    isopentanol 122.46
    n-heptane 2.31
    ethyl formate 171.53
    1,2-dichloroethane 386.22
    n-hexanol 69.13
    2-methoxyethanol 577.65
    isobutyl acetate 93.53
    tetrachloromethane 36.69
    n-pentyl acetate 62.3
    transcutol 1044.7
    n-heptanol 32.51
    ethylbenzene 22.96
    MIBK 127.23
    2-propoxyethanol 207.59
    tert-butanol 291.6
    MTBE 185.57
    2-butoxyethanol 105.65
    propionic acid 219.93
    o-xylene 32.23
    formic acid 379.89
    diethyl ether 160.21
    m-xylene 32.64
    p-xylene 31.07
    chlorobenzene 81.04
    dimethyl carbonate 174.45
    n-octane 1.51
    formamide 779.36
    cyclopentanone 350.95
    2-pentanone 188.03
    anisole 108.34
    cyclopentyl methyl ether 156.29
    gamma-butyrolactone 486.01
    1-methoxy-2-propanol 351.22
    pyridine 171.0
    3-pentanone 133.59
    furfural 415.91
    n-dodecane 2.01
    diethylene glycol 277.5
    diisopropyl ether 38.18
    tert-amyl alcohol 194.63
    acetylacetone 367.11
    n-hexadecane 2.33
    acetophenone 131.85
    methyl propionate 263.51
    isopentyl acetate 134.37
    trichloroethylene 686.53
    n-nonanol 31.59
    cyclohexanol 98.46
    benzyl alcohol 104.41
    2-ethylhexanol 44.64
    isooctanol 31.68
    dipropyl ether 45.12
    1,2-dichlorobenzene 104.14
    ethyl lactate 105.16
    propylene carbonate 239.84
    n-methylformamide 351.38
    2-pentanol 86.43
    n-pentane 2.12
    1-propoxy-2-propanol 134.28
    1-methoxy-2-propyl acetate 190.86
    2-(2-methoxypropoxy) propanol 161.79
    mesitylene 25.24
    ε-caprolactone 227.46
    p-cymene 24.18
    epichlorohydrin 571.57
    1,1,1-trichloroethane 198.21
    2-aminoethanol 189.08
    morpholine-4-carbaldehyde 428.08
    sulfolane 558.35
    2,2,4-trimethylpentane 4.36
    2-methyltetrahydrofuran 229.17
    n-hexyl acetate 87.88
    isooctane 3.21
    2-(2-butoxyethoxy)ethanol 211.59
    sec-butyl acetate 105.75
    tert-butyl acetate 199.69
    decalin 4.7
    glycerin 275.43
    diglyme 440.24
    acrylic acid 256.12
    isopropyl myristate 39.77
    n-butyric acid 278.98
    acetyl acetate 288.43
    di(2-ethylhexyl) phthalate 47.03
    ethyl propionate 131.02
    nitromethane 1194.64
    1,2-diethoxyethane 186.3
    benzonitrile 106.22
    trioctyl phosphate 32.99
    1-bromopropane 91.46
    gamma-valerolactone 423.32
    n-decanol 24.66
    triethyl phosphate 71.7
    4-methyl-2-pentanol 59.65
    propionitrile 148.51
    vinylene carbonate 228.07
    1,1,2-trichlorotrifluoroethane 471.88
    DMS 147.14
    cumene 21.68
    2-octanol 22.27
    2-hexanone 106.91
    octyl acetate 48.03
    limonene 33.13
    1,2-dimethoxyethane 374.02
    ethyl orthosilicate 63.22
    tributyl phosphate 51.24
    diacetone alcohol 246.66
    N,N-dimethylaniline 72.58
    acrylonitrile 238.18
    aniline 93.97
    1,3-propanediol 276.55
    bromobenzene 78.35
    dibromomethane 244.31
    1,1,2,2-tetrachloroethane 464.29
    2-methyl-cyclohexyl acetate 86.6
    tetrabutyl urea 59.46
    diisobutyl methanol 34.25
    2-phenylethanol 88.1
    styrene 29.44
    dioctyl adipate 72.99
    dimethyl sulfate 301.7
    ethyl butyrate 104.54
    methyl lactate 164.9
    butyl lactate 73.28
    diethyl carbonate 95.69
    propanediol butyl ether 120.11
    triethyl orthoformate 79.89
    p-tert-butyltoluene 24.25
    methyl 4-tert-butylbenzoate 105.94
    morpholine 397.69
    tert-butylamine 106.85
    n-dodecanol 19.89
    dimethoxymethane 369.96
    ethylene carbonate 193.62
    cyrene 153.03
    2-ethoxyethyl acetate 143.42
    2-ethylhexyl acetate 93.9
    1,2,4-trichlorobenzene 135.91
    4-methylpyridine 146.79
    dibutyl ether 46.19
    2,6-dimethyl-4-heptanol 34.25
    DEF 219.5
    dimethyl isosorbide 237.07
    tetrachloroethylene 267.51
    eugenol 104.45
    triacetin 161.43
    span 80 99.98
    1,4-butanediol 95.94
    1,1-dichloroethane 227.13
    2-methyl-1-pentanol 86.11
    methyl formate 290.46
    2-methyl-1-butanol 103.66
    n-decane 2.89
    butyronitrile 117.38
    3,7-dimethyl-1-octanol 43.72
    1-chlorooctane 18.31
    1-chlorotetradecane 8.61
    n-nonane 2.37
    undecane 2.33
    tert-butylcyclohexane 4.55
    cyclooctane 2.18
    cyclopentanol 103.54
    tetrahydropyran 178.58
    tert-amyl methyl ether 119.09
    2,5,8-trioxanonane 302.23
    1-hexene 10.41
    2-isopropoxyethanol 188.02
    2,2,2-trifluoroethanol 271.88
    methyl butyrate 162.19

    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