Guaifenesin

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  • Identifiers

    CAS number
    93-14-1

    Molecular formula
    C10H14O4

    SMILES
    COC1=CC=CC=C1OCC(CO)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Vanilla 50.21%
    Sweet 44.71%
    Fruity 41.7%
    Odorless 34.62%
    Balsamic 31.47%
    Creamy 29.01%
    Caramellic 28.69%
    Alcoholic 26.31%
    Milky 26.27%
    Phenolic 25.12%

     

    Flavor
    Sweet 65.18%
    Bitter 37.31%
    Creamy 36.42%
    Odorless 35.19%
    Vanilla 32.38%
    Mild 28.23%
    Musty 26.22%
    Sweet-like 25.76%
    Powdery 25.13%
    Balsamic 23.3%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    7.6 (neutral)

    Molecular weight
    198.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 78.5-79
    • 78.5-79 °C
    • 78.5 °C

    Boiling point

    • 215 °C at 1.90E+01 mm Hg
    • 215 °C at 19 mm Hg

    Flash point

    • 166.65 ˚C est.

    Solubility expt.

    • 50000 mg/L (at 25 °C)
    • Freely sol in ethanol; sol in chloroform, glycerol, propylene glycol, n,n-dimethylformamide; moderately sol in benzene; practically insol in petroleum ether
    • In water, 5.00X10+4 mg/L at 25 °C ... much more in hot water

  • Synonyms

    • guaifenesin
    • 93-14-1
    • Guaiphenesin
    • Guaiacol glyceryl ether
    • 3-(2-methoxyphenoxy)propane-1,2-diol
    • GLYCERYL GUAIACOLATE
    • Glycerol guaiacolate
    • Guaiphenesine
    • Methphenoxydiol
    • Aeronesin
    • Calmipan
    • Guaiamar
    • Guaianesin
    • Hustosil
    • Myocaine
    • Robitussin
    • Aresol
    • Mucinex
    • Dilyn
    • Resyl
    • Guaiacuran
    • Guaiacurane
    • Guajacuran
    • Guayanesin
    • Reorganin
    • Myoscain
    • Neuroton
    • Respenyl
    • Creson
    • Oresol
    • Oreson
    • Glycerin guaiacolate
    • 3-(o-Methoxyphenoxy)-1,2-propanediol
    • Guaiacol glycerol ether
    • Relaxil G
    • Guaifenesine
    • Glycotuss
    • Miocaina
    • Ritussin
    • Glyceryl guaiacyl ether
    • o-Methoxyphenyl glyceryl ether
    • Guaifenesinum
    • Glycerylguaiacol
    • 1,2-Propanediol, 3-(2-methoxyphenoxy)-
    • Guaifenesina
    • MY 301
    • Guaifensin
    • SL-90
    • alpha-Glyceryl guaiacol ether
    • 1,2-Dihydroxy-3-(2-methoxyphenoxy)propane
    • alpha-Glyceryl guaiacolate ether
    • 1,2-Propanediol, 3-(o-methoxyphenoxy)-
    • Glycerol alpha-guaiacyl ether
    • DTXSID5023114
    • Glycerol alpha-(o-methoxyphenyl)ether
    • NSC-62112
    • Glycerol alpha-(2-methoxyphenyl) ether
    • CVT-2534
    • NSC62112
    • 495W7451VQ
    • CHEBI:5551
    • DTXCID403114
    • OBREDON COMPONENT GUAIFENESIN
    • FLOWTUSS COMPONENT GUAIFENESIN
    • 3-[o-Methoxyphenoxy]-1,2-propanediol
    • Guaiphenezine
    • Humibid
    • ScottTussin
    • Scott Tussin
    • Guaiacolate, Glycerol
    • Ether, Guaiacol Glyceryl
    • Glyceryl Ether, Guaiacol
    • robafen
    • Guiafenesin
    • Guifenesin
    • Amonidron
    • Broncomar
    • Gecolate
    • Guailaxin
    • Liqufruta
    • Pharbinex
    • Mucosa
    • topcare tussin
    • Tusnel
    • Famel
    • Franolyn chesty
    • Guaap
    • Mucus
    • Akin
    • My301
    • Revasol Tussin
    • Sunmark Tussin
    • Walgreen Cherry
    • Broncomar Sf
    • Gadavyt Cough
    • Mucus Relief
    • Siltussin Sa
    • Tussin Chest
    • Chest Congestion
    • Geri-Tussin
    • Muca Clear
    • Rompe Pecho
    • Air Power
    • Cough Out
    • DRx Choice
    • Mucosa Guifenesin
    • Reeses TABtussin
    • good sense tussin
    • Mucus Relief ER
    • Rompe Pecho Sf
    • Tusnel EX
    • Mucus Relief Max
    • CurNEX
    • CVS Adult Mucus
    • Rompe Pecho EX
    • Simpex Guaifenesin
    • Tussin Expectorant
    • welby mucus relief
    • CuraTUSSIN
    • Topcare Mucus ER
    • Leader Cough Tabs
    • Marcs Mucus Relief
    • Organ-I Nr
    • Reliable-1 Tussin
    • Topco Mucus Relief
    • Kids-EEZE
    • TopCare Tab Tussin
    • 93-14-1

  • Applications

    Guaifenesin (CAS 93-14-1) is primarily used as an active pharmaceutical ingredient with expectorant effects in cough and cold preparations. It is also considered a chemical intermediate or building block in the synthesis of guaiacyl derivatives and related ether compounds, supporting chemical research and development. In industrial and analytical settings, guaifenesin can serve as a reference material or standard for quality-control methods and product compliance. In research and development, it provides a starting point for synthetic transformations of guaiacyl-type structures and related derivatives, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 229.18
    methanol 486.6
    isopropanol 115.07
    water 30.24
    ethyl acetate 106.57
    n-propanol 123.25
    acetone 210.91
    n-butanol 90.29
    acetonitrile 119.65
    DMF 554.3
    toluene 7.94
    isobutanol 71.75
    1,4-dioxane 220.07
    methyl acetate 119.03
    THF 229.9
    2-butanone 78.76
    n-pentanol 54.15
    sec-butanol 83.09
    n-hexane 1.64
    ethylene glycol 371.8
    NMP 306.29
    cyclohexane 8.84
    DMSO 1791.14
    n-butyl acetate 55.93
    n-octanol 33.49
    chloroform 108.53
    n-propyl acetate 69.54
    acetic acid 869.74
    dichloromethane 161.78
    cyclohexanone 142.76
    propylene glycol 232.84
    isopropyl acetate 42.99
    DMAc 357.95
    2-ethoxyethanol 327.35
    isopentanol 69.2
    n-heptane 4.38
    ethyl formate 134.98
    1,2-dichloroethane 119.77
    n-hexanol 49.86
    2-methoxyethanol 574.46
    isobutyl acetate 34.58
    tetrachloromethane 15.59
    n-pentyl acetate 32.59
    transcutol 525.89
    n-heptanol 30.58
    ethylbenzene 8.05
    MIBK 40.99
    2-propoxyethanol 148.8
    tert-butanol 208.39
    MTBE 64.78
    2-butoxyethanol 95.09
    propionic acid 231.24
    o-xylene 13.25
    formic acid 849.59
    diethyl ether 44.2
    m-xylene 10.07
    p-xylene 11.9
    chlorobenzene 26.05
    dimethyl carbonate 79.46
    n-octane 2.19
    formamide 1064.44
    cyclopentanone 199.07
    2-pentanone 56.11
    anisole 45.82
    cyclopentyl methyl ether 68.59
    gamma-butyrolactone 327.24
    1-methoxy-2-propanol 252.19
    pyridine 87.58
    3-pentanone 42.88
    furfural 289.16
    n-dodecane 2.25
    diethylene glycol 262.11
    diisopropyl ether 12.28
    tert-amyl alcohol 141.83
    acetylacetone 135.4
    n-hexadecane 2.41
    acetophenone 66.93
    methyl propionate 96.95
    isopentyl acetate 47.4
    trichloroethylene 207.48
    n-nonanol 29.37
    cyclohexanol 92.48
    benzyl alcohol 65.52
    2-ethylhexanol 31.94
    isooctanol 27.77
    dipropyl ether 29.95
    1,2-dichlorobenzene 36.36
    ethyl lactate 87.27
    propylene carbonate 162.16
    n-methylformamide 381.1
    2-pentanol 46.09
    n-pentane 2.43
    1-propoxy-2-propanol 98.76
    1-methoxy-2-propyl acetate 73.39
    2-(2-methoxypropoxy) propanol 103.66
    mesitylene 9.94
    ε-caprolactone 145.94
    p-cymene 14.05
    epichlorohydrin 251.02
    1,1,1-trichloroethane 48.87
    2-aminoethanol 334.01
    morpholine-4-carbaldehyde 315.74
    sulfolane 509.72
    2,2,4-trimethylpentane 3.6
    2-methyltetrahydrofuran 102.93
    n-hexyl acetate 49.3
    isooctane 2.11
    2-(2-butoxyethoxy)ethanol 137.03
    sec-butyl acetate 32.26
    tert-butyl acetate 60.1
    decalin 4.13
    glycerin 448.7
    diglyme 303.28
    acrylic acid 293.3
    isopropyl myristate 20.74
    n-butyric acid 213.08
    acetyl acetate 89.75
    di(2-ethylhexyl) phthalate 30.44
    ethyl propionate 51.17
    nitromethane 1097.04
    1,2-diethoxyethane 77.84
    benzonitrile 53.59
    trioctyl phosphate 24.72
    1-bromopropane 26.41
    gamma-valerolactone 275.99
    n-decanol 22.55
    triethyl phosphate 40.64
    4-methyl-2-pentanol 28.37
    propionitrile 58.83
    vinylene carbonate 153.74
    1,1,2-trichlorotrifluoroethane 389.43
    DMS 61.78
    cumene 9.43
    2-octanol 18.67
    2-hexanone 43.55
    octyl acetate 29.2
    limonene 22.3
    1,2-dimethoxyethane 305.72
    ethyl orthosilicate 35.5
    tributyl phosphate 30.85
    diacetone alcohol 121.09
    N,N-dimethylaniline 42.01
    acrylonitrile 118.43
    aniline 42.95
    1,3-propanediol 342.21
    bromobenzene 19.63
    dibromomethane 74.63
    1,1,2,2-tetrachloroethane 160.87
    2-methyl-cyclohexyl acetate 48.76
    tetrabutyl urea 41.58
    diisobutyl methanol 22.8
    2-phenylethanol 50.69
    styrene 10.57
    dioctyl adipate 46.66
    dimethyl sulfate 179.83
    ethyl butyrate 51.13
    methyl lactate 140.54
    butyl lactate 53.55
    diethyl carbonate 44.87
    propanediol butyl ether 112.28
    triethyl orthoformate 45.24
    p-tert-butyltoluene 14.15
    methyl 4-tert-butylbenzoate 72.55
    morpholine 265.79
    tert-butylamine 76.87
    n-dodecanol 18.26
    dimethoxymethane 212.7
    ethylene carbonate 125.3
    cyrene 130.93
    2-ethoxyethyl acetate 61.27
    2-ethylhexyl acetate 32.66
    1,2,4-trichlorobenzene 49.87
    4-methylpyridine 56.14
    dibutyl ether 25.23
    2,6-dimethyl-4-heptanol 22.8
    DEF 132.14
    dimethyl isosorbide 141.64
    tetrachloroethylene 123.64
    eugenol 74.81
    triacetin 92.87
    span 80 79.36
    1,4-butanediol 152.04
    1,1-dichloroethane 48.67
    2-methyl-1-pentanol 49.95
    methyl formate 323.72
    2-methyl-1-butanol 65.24
    n-decane 3.34
    butyronitrile 54.34
    3,7-dimethyl-1-octanol 31.96
    1-chlorooctane 13.5
    1-chlorotetradecane 6.38
    n-nonane 3.08
    undecane 2.65
    tert-butylcyclohexane 3.44
    cyclooctane 3.19
    cyclopentanol 104.18
    tetrahydropyran 93.82
    tert-amyl methyl ether 48.48
    2,5,8-trioxanonane 202.33
    1-hexene 5.93
    2-isopropoxyethanol 151.12
    2,2,2-trifluoroethanol 365.36
    methyl butyrate 87.06

    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