Guaidiol

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  • Identifiers

    CAS number
    217817-10-2

    Molecular formula
    C15H26O2

    SMILES
    CC(=C)[C@@H]1CC[C@]([C@H]2CC[C@]([C@H]2C1)(C)O)(C)O

    Safety labels

  • Odor profile

    Fragrance
    Herbal 71.13%
    Woody 59.96%
    Sweet 54.71%
    Mint 54.11%
    Camphoreous 49.96%
    Floral 48.3%
    Fresh 46.69%
    Spicy 46.54%
    Earthy 46.15%
    Pine 45.86%

     

    Flavor
    Minty 65.11%
    Herbal 39.08%
    Herb 38.41%
    Green 36.45%
    Fresh 35.15%
    Earthy 34.45%
    Mint 33.77%
    Woody 28.65%
    Fruity 28.05%
    Must 25.05%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    9.65 (weak base)

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    360°C

    Flash point

    • 119.91 ˚C est.

  • Synonyms

    • guaidiol
    • Guaiadiol A
    • CHEMBL463902
    • CHEBI:176395
    • DTXSID601139947
    • (1S,3aS,4S,7R,8aS)-1,4-dimethyl-7-prop-1-en-2-yl-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-diol
    • 217817-10-2
    • (1S,3aS,4S,7R,8aS)-1,4-Dimethyl-7-(prop-1-en-2-yl)decahydroazulene-1,4-diol
    • (1S,3aS,4S,7R,8aS)-Decahydro-1,4-dimethyl-7-(1-methylethenyl)-1,4-azulenediol
    • 217817-10-2

  • Applications

    Guaidiol, CAS number: 217817-10-2, is used mainly as an odorant/fragrance ingredient in perfumery and cosmetics, serving as an aroma component in perfumes, fabric care products, and personal care formulations. It is also regarded as an intermediate in the synthesis of other fragrance compounds and may be evaluated for applications in cleaning and household products with odor. With its characteristic aroma, guaidiol can contribute to scent stability or enhancement in formulations, subject to regulatory and formulation limits in different regions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 434.11
    methanol 716.38
    isopropanol 525.99
    water 7.22
    ethyl acetate 235.36
    n-propanol 373.5
    acetone 407.53
    n-butanol 332.27
    acetonitrile 262.44
    DMF 700.7
    toluene 175.94
    isobutanol 271.04
    1,4-dioxane 881.21
    methyl acetate 251.04
    THF 1219.14
    2-butanone 294.21
    n-pentanol 170.72
    sec-butanol 253.81
    n-hexane 9.0
    ethylene glycol 115.12
    NMP 280.17
    cyclohexane 27.01
    DMSO 459.42
    n-butyl acetate 190.53
    n-octanol 134.71
    chloroform 635.98
    n-propyl acetate 151.59
    acetic acid 195.01
    dichloromethane 446.79
    cyclohexanone 344.77
    propylene glycol 194.23
    isopropyl acetate 194.32
    DMAc 426.62
    2-ethoxyethanol 290.04
    isopentanol 270.38
    n-heptane 15.92
    ethyl formate 199.88
    1,2-dichloroethane 212.77
    n-hexanol 244.03
    2-methoxyethanol 619.1
    isobutyl acetate 134.87
    tetrachloromethane 96.33
    n-pentyl acetate 145.85
    transcutol 618.99
    n-heptanol 144.97
    ethylbenzene 92.39
    MIBK 178.14
    2-propoxyethanol 463.66
    tert-butanol 512.59
    MTBE 247.92
    2-butoxyethanol 271.76
    propionic acid 168.65
    o-xylene 109.81
    formic acid 115.32
    diethyl ether 206.19
    m-xylene 124.46
    p-xylene 138.61
    chlorobenzene 172.08
    dimethyl carbonate 127.35
    n-octane 8.95
    formamide 198.71
    cyclopentanone 481.93
    2-pentanone 230.64
    anisole 217.62
    cyclopentyl methyl ether 236.51
    gamma-butyrolactone 459.93
    1-methoxy-2-propanol 547.43
    pyridine 392.49
    3-pentanone 143.18
    furfural 415.65
    n-dodecane 8.94
    diethylene glycol 370.22
    diisopropyl ether 66.42
    tert-amyl alcohol 235.23
    acetylacetone 308.46
    n-hexadecane 10.21
    acetophenone 178.61
    methyl propionate 180.44
    isopentyl acetate 203.1
    trichloroethylene 393.67
    n-nonanol 123.2
    cyclohexanol 207.9
    benzyl alcohol 193.33
    2-ethylhexanol 126.65
    isooctanol 115.89
    dipropyl ether 135.58
    1,2-dichlorobenzene 149.86
    ethyl lactate 109.56
    propylene carbonate 257.41
    n-methylformamide 313.05
    2-pentanol 176.59
    n-pentane 13.38
    1-propoxy-2-propanol 347.23
    1-methoxy-2-propyl acetate 250.74
    2-(2-methoxypropoxy) propanol 223.44
    mesitylene 79.73
    ε-caprolactone 275.26
    p-cymene 74.4
    epichlorohydrin 452.32
    1,1,1-trichloroethane 227.21
    2-aminoethanol 249.9
    morpholine-4-carbaldehyde 504.15
    sulfolane 391.73
    2,2,4-trimethylpentane 10.73
    2-methyltetrahydrofuran 410.05
    n-hexyl acetate 189.66
    isooctane 11.22
    2-(2-butoxyethoxy)ethanol 305.21
    sec-butyl acetate 115.42
    tert-butyl acetate 203.08
    decalin 16.01
    glycerin 245.6
    diglyme 533.97
    acrylic acid 144.52
    isopropyl myristate 90.5
    n-butyric acid 276.67
    acetyl acetate 189.03
    di(2-ethylhexyl) phthalate 99.93
    ethyl propionate 131.38
    nitromethane 372.99
    1,2-diethoxyethane 241.37
    benzonitrile 232.46
    trioctyl phosphate 77.72
    1-bromopropane 130.35
    gamma-valerolactone 636.64
    n-decanol 92.28
    triethyl phosphate 83.21
    4-methyl-2-pentanol 134.49
    propionitrile 246.43
    vinylene carbonate 268.47
    1,1,2-trichlorotrifluoroethane 318.72
    DMS 140.17
    cumene 69.2
    2-octanol 98.5
    2-hexanone 157.98
    octyl acetate 109.35
    limonene 88.74
    1,2-dimethoxyethane 583.88
    ethyl orthosilicate 83.68
    tributyl phosphate 81.4
    diacetone alcohol 252.83
    N,N-dimethylaniline 151.23
    acrylonitrile 270.58
    aniline 213.97
    1,3-propanediol 369.12
    bromobenzene 164.99
    dibromomethane 262.56
    1,1,2,2-tetrachloroethane 337.65
    2-methyl-cyclohexyl acetate 140.38
    tetrabutyl urea 107.84
    diisobutyl methanol 92.98
    2-phenylethanol 215.36
    styrene 105.5
    dioctyl adipate 121.87
    dimethyl sulfate 167.62
    ethyl butyrate 145.39
    methyl lactate 162.86
    butyl lactate 144.48
    diethyl carbonate 105.59
    propanediol butyl ether 251.77
    triethyl orthoformate 120.75
    p-tert-butyltoluene 78.71
    methyl 4-tert-butylbenzoate 180.99
    morpholine 769.41
    tert-butylamine 270.6
    n-dodecanol 70.48
    dimethoxymethane 493.63
    ethylene carbonate 234.86
    cyrene 210.62
    2-ethoxyethyl acetate 198.21
    2-ethylhexyl acetate 145.75
    1,2,4-trichlorobenzene 175.86
    4-methylpyridine 350.4
    dibutyl ether 117.09
    2,6-dimethyl-4-heptanol 92.98
    DEF 208.18
    dimethyl isosorbide 347.98
    tetrachloroethylene 198.24
    eugenol 188.88
    triacetin 179.53
    span 80 200.79
    1,4-butanediol 123.87
    1,1-dichloroethane 246.24
    2-methyl-1-pentanol 135.08
    methyl formate 246.89
    2-methyl-1-butanol 193.66
    n-decane 15.37
    butyronitrile 272.75
    3,7-dimethyl-1-octanol 137.73
    1-chlorooctane 62.51
    1-chlorotetradecane 25.77
    n-nonane 13.03
    undecane 11.43
    tert-butylcyclohexane 15.97
    cyclooctane 10.36
    cyclopentanol 255.84
    tetrahydropyran 513.05
    tert-amyl methyl ether 129.55
    2,5,8-trioxanonane 362.67
    1-hexene 43.4
    2-isopropoxyethanol 204.87
    2,2,2-trifluoroethanol 107.04
    methyl butyrate 175.6

    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