Guaiacol Carbonate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    553-17-3

    Molecular formula
    C15H14O5

    SMILES
    COC1=CC=CC=C1OC(=O)OC2=CC=CC=C2OC

  • Odor profile

    Fragrance
    Balsamic 58.36%
    Spicy 55.34%
    Phenolic 54.87%
    Sweet 48.84%
    Floral 48.22%
    Woody 47.25%
    Vanilla 46.86%
    Powdery 38.8%
    Smoky 34.99%
    Clove 34.97%

     

    Flavor
    Sweet 58.43%
    Woody 49.73%
    Spice 38.16%
    Powdery 37.81%
    Bitter 37.11%
    Vanilla 35.0%
    Balsam 34.11%
    Phenolic 32.65%
    Smoky 29.86%
    Balsamic 29.34%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    6.84 (neutral)

    Molecular weight
    274.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    382°C

    Flash point

    • 152.15 ˚C est.

  • Synonyms

    • GUAIACOL CARBONATE
    • Bis(2-methoxyphenyl) carbonate
    • 553-17-3
    • Duotal
    • Tussophob
    • Guaiacyl carbonate
    • Bis-o-methoxyphenyl carbonate
    • Di-o-methoxyphenyl carbonate
    • Diguaiacyl carbonate
    • Guaiacol carbonic acid neutral ester
    • Phenol, 2-methoxy-, carbonate (2:1)
    • Carbonic acid bis(2-methoxyphenyl) ester
    • Guaiacol carbonate [NF]
    • Carbonic acid, bis(o-methoxyphenyl) ester
    • UNII-Q71XPQ6R29
    • NSC 37138
    • Q71XPQ6R29
    • DTXSID3046405
    • NSC-3798
    • EINECS 209-034-2
    • NSC-37138
    • Carbonic acid guiacol ether
    • MLS002637719
    • GUAIACOL CARBONATE [MI]
    • DTXCID1026405
    • GUAIACOL CARBONATE [WHO-DD]
    • NSC37138
    • NCGC00164512-01
    • NCGC00164512-02
    • Carbonic acid bis(2-methyoxyphenyl) ester
    • guaiacolcarbonate
    • Phenol, carbonate (2:1)
    • Carbonic acid bis[2-methoxyphenyl] ester
    • CAS-553-17-3
    • Guajacolcarbonat
    • SCHEMBL21541
    • CHEMBL1898058
    • NSC3798
    • CHEBI:135131
    • HMS3078E13
    • CS-B1684
    • HY-Y1876
    • Tox21_112147
    • MFCD00025723
    • AKOS005068004
    • Tox21_112147_1
    • Bis(o-methoxyphenyl)ester carbonic acid
    • CS-16937
    • SMR001547241
    • DB-052713
    • NS00033290
    • C13264
    • Phenol, 2-methoxy-, carbonate (2:1) (9CI)
    • SBI-0654036.0001
    • Carbonic acid, bis(o-methoxyphenyl) ester (8CI)
    • Q27287071

  • Applications

    Guaiacol Carbonate (CAS 553-17-3) is primarily used as a chemical intermediate and fragrance-related component, often employed in the fragrance and cosmetics industry as a protecting group for guaiacol in organic synthesis or as a fragrance carrier and scent stabilizer; in the polymers/plastics sector it can serve as a precursor to guaiacol derivatives or as a processing additive/plasticizer for certain resins; in coatings and inks it may function as a solvent or formulation additive to adjust solvency and evaporation behavior; in cleaning and consumer products it might be used as a fragrance carrier or formulation additive, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 21.55
    methanol 29.19
    isopropanol 15.41
    water 0.1
    ethyl acetate 235.68
    n-propanol 17.85
    acetone 284.38
    n-butanol 14.48
    acetonitrile 223.43
    DMF 361.83
    toluene 84.14
    isobutanol 12.99
    1,4-dioxane 264.49
    methyl acetate 263.59
    THF 595.19
    2-butanone 174.03
    n-pentanol 14.92
    sec-butanol 18.01
    n-hexane 8.03
    ethylene glycol 8.86
    NMP 397.36
    cyclohexane 18.76
    DMSO 474.29
    n-butyl acetate 93.15
    n-octanol 11.05
    chloroform 709.17
    n-propyl acetate 94.93
    acetic acid 106.32
    dichloromethane 1169.29
    cyclohexanone 226.36
    propylene glycol 5.59
    isopropyl acetate 118.42
    DMAc 424.15
    2-ethoxyethanol 65.41
    isopentanol 17.01
    n-heptane 8.68
    ethyl formate 78.82
    1,2-dichloroethane 739.29
    n-hexanol 17.57
    2-methoxyethanol 97.01
    isobutyl acetate 48.86
    tetrachloromethane 69.44
    n-pentyl acetate 49.56
    transcutol 164.06
    n-heptanol 12.05
    ethylbenzene 45.2
    MIBK 69.62
    2-propoxyethanol 68.43
    tert-butanol 39.4
    MTBE 83.06
    2-butoxyethanol 36.37
    propionic acid 59.35
    o-xylene 54.95
    formic acid 38.64
    diethyl ether 125.16
    m-xylene 47.58
    p-xylene 57.67
    chlorobenzene 151.86
    dimethyl carbonate 188.6
    n-octane 4.78
    formamide 170.82
    cyclopentanone 445.86
    2-pentanone 121.44
    anisole 110.93
    cyclopentyl methyl ether 161.64
    gamma-butyrolactone 617.76
    1-methoxy-2-propanol 62.23
    pyridine 307.09
    3-pentanone 156.16
    furfural 364.6
    n-dodecane 3.68
    diethylene glycol 53.84
    diisopropyl ether 38.26
    tert-amyl alcohol 34.52
    acetylacetone 293.03
    n-hexadecane 4.38
    acetophenone 119.22
    methyl propionate 216.0
    isopentyl acetate 85.15
    trichloroethylene 1211.92
    n-nonanol 12.94
    cyclohexanol 31.0
    benzyl alcohol 47.94
    2-ethylhexanol 19.46
    isooctanol 12.04
    dipropyl ether 54.31
    1,2-dichlorobenzene 173.16
    ethyl lactate 36.52
    propylene carbonate 201.03
    n-methylformamide 139.23
    2-pentanol 15.03
    n-pentane 6.16
    1-propoxy-2-propanol 44.84
    1-methoxy-2-propyl acetate 121.78
    2-(2-methoxypropoxy) propanol 58.18
    mesitylene 33.49
    ε-caprolactone 194.89
    p-cymene 29.98
    epichlorohydrin 764.47
    1,1,1-trichloroethane 443.5
    2-aminoethanol 13.17
    morpholine-4-carbaldehyde 299.98
    sulfolane 633.99
    2,2,4-trimethylpentane 5.74
    2-methyltetrahydrofuran 239.02
    n-hexyl acetate 54.44
    isooctane 3.49
    2-(2-butoxyethoxy)ethanol 58.58
    sec-butyl acetate 70.19
    tert-butyl acetate 145.35
    decalin 11.4
    glycerin 16.28
    diglyme 178.48
    acrylic acid 76.5
    isopropyl myristate 31.2
    n-butyric acid 60.96
    acetyl acetate 218.36
    di(2-ethylhexyl) phthalate 27.76
    ethyl propionate 111.8
    nitromethane 612.15
    1,2-diethoxyethane 102.98
    benzonitrile 81.77
    trioctyl phosphate 17.95
    1-bromopropane 159.14
    gamma-valerolactone 372.75
    n-decanol 10.78
    triethyl phosphate 60.69
    4-methyl-2-pentanol 12.54
    propionitrile 98.78
    vinylene carbonate 181.81
    1,1,2-trichlorotrifluoroethane 267.67
    DMS 146.86
    cumene 28.04
    2-octanol 9.83
    2-hexanone 71.13
    octyl acetate 34.47
    limonene 37.26
    1,2-dimethoxyethane 188.08
    ethyl orthosilicate 53.22
    tributyl phosphate 28.49
    diacetone alcohol 92.1
    N,N-dimethylaniline 70.51
    acrylonitrile 175.7
    aniline 67.82
    1,3-propanediol 21.8
    bromobenzene 205.36
    dibromomethane 534.61
    1,1,2,2-tetrachloroethane 704.28
    2-methyl-cyclohexyl acetate 66.54
    tetrabutyl urea 39.23
    diisobutyl methanol 18.63
    2-phenylethanol 48.03
    styrene 62.21
    dioctyl adipate 52.55
    dimethyl sulfate 355.34
    ethyl butyrate 85.82
    methyl lactate 56.98
    butyl lactate 27.49
    diethyl carbonate 74.21
    propanediol butyl ether 17.59
    triethyl orthoformate 61.4
    p-tert-butyltoluene 29.15
    methyl 4-tert-butylbenzoate 84.31
    morpholine 228.58
    tert-butylamine 22.92
    n-dodecanol 9.69
    dimethoxymethane 292.27
    ethylene carbonate 146.38
    cyrene 77.23
    2-ethoxyethyl acetate 96.8
    2-ethylhexyl acetate 71.61
    1,2,4-trichlorobenzene 209.29
    4-methylpyridine 183.7
    dibutyl ether 36.41
    2,6-dimethyl-4-heptanol 18.63
    DEF 188.27
    dimethyl isosorbide 175.43
    tetrachloroethylene 426.64
    eugenol 62.94
    triacetin 95.72
    span 80 31.65
    1,4-butanediol 9.51
    1,1-dichloroethane 354.8
    2-methyl-1-pentanol 19.06
    methyl formate 147.7
    2-methyl-1-butanol 15.76
    n-decane 5.48
    butyronitrile 55.23
    3,7-dimethyl-1-octanol 16.0
    1-chlorooctane 19.77
    1-chlorotetradecane 11.03
    n-nonane 4.92
    undecane 4.35
    tert-butylcyclohexane 8.5
    cyclooctane 8.3
    cyclopentanol 45.15
    tetrahydropyran 160.73
    tert-amyl methyl ether 77.44
    2,5,8-trioxanonane 132.85
    1-hexene 22.14
    2-isopropoxyethanol 45.07
    2,2,2-trifluoroethanol 79.42
    methyl butyrate 113.55

    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