Guaia-1(10),11-dien-9-one

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C15H22O

    SMILES
    CC1=C2C(CC1)C(=C)CCC(C2=O)C(C)C

  • Odor profile

    Woody 66.25%
    Herbal 65.59%
    Mint 64.5%
    Camphoreous 53.55%
    Spicy 50.57%
    Fresh 43.32%
    Cooling 38.21%
    Tobacco 31.02%
    Phenolic 29.91%
    Cedar 29.5%

    Scent© AI

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.03 (weak base)

    Molecular weight
    218.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    313°C

    Flash point est.
    103.3 ˚C

  • Synonyms

    • Guaia-1(10),11-dien-9-one
    • UYGROYIOOPLGAS-UHFFFAOYSA-N

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 800.49
    methanol 798.85
    isopropanol 1191.72
    water 1.73
    ethyl acetate 611.0
    n-propanol 878.58
    acetone 983.0
    n-butanol 955.39
    acetonitrile 898.35
    DMF 1334.04
    toluene 1242.5
    isobutanol 833.63
    1,4-dioxane 1638.81
    methyl acetate 720.75
    THF 2150.22
    2-butanone 1046.82
    n-pentanol 572.36
    sec-butanol 891.47
    n-hexane 79.97
    ethylene glycol 100.12
    NMP 1039.0
    cyclohexane 258.19
    DMSO 516.85
    n-butyl acetate 672.55
    n-octanol 377.93
    chloroform 4970.29
    n-propyl acetate 472.1
    acetic acid 580.2
    dichloromethane 3521.89
    cyclohexanone 1894.06
    propylene glycol 194.97
    isopropyl acetate 422.46
    DMAc 749.49
    2-ethoxyethanol 445.64
    isopentanol 781.45
    n-heptane 74.16
    ethyl formate 732.73
    1,2-dichloroethane 1512.43
    n-hexanol 728.51
    2-methoxyethanol 763.8
    isobutyl acetate 363.16
    tetrachloromethane 683.22
    n-pentyl acetate 556.13
    transcutol 938.36
    n-heptanol 408.65
    ethylbenzene 500.76
    MIBK 480.33
    2-propoxyethanol 743.45
    tert-butanol 909.49
    MTBE 592.66
    2-butoxyethanol 513.49
    propionic acid 559.65
    o-xylene 577.84
    formic acid 147.47
    diethyl ether 597.17
    m-xylene 718.28
    p-xylene 670.22
    chlorobenzene 1400.02
    dimethyl carbonate 244.93
    n-octane 44.54
    formamide 257.41
    cyclopentanone 1778.6
    2-pentanone 745.11
    anisole 654.44
    cyclopentyl methyl ether 749.73
    gamma-butyrolactone 1595.9
    1-methoxy-2-propanol 659.79
    pyridine 2341.82
    3-pentanone 524.49
    furfural 1449.53
    n-dodecane 39.5
    diethylene glycol 422.48
    diisopropyl ether 188.59
    tert-amyl alcohol 622.81
    acetylacetone 655.28
    n-hexadecane 47.37
    acetophenone 611.45
    methyl propionate 479.4
    isopentyl acetate 647.59
    trichloroethylene 3232.08
    n-nonanol 318.57
    cyclohexanol 1040.29
    benzyl alcohol 727.37
    2-ethylhexanol 415.06
    isooctanol 336.83
    dipropyl ether 305.91
    1,2-dichlorobenzene 996.36
    ethyl lactate 230.2
    propylene carbonate 1013.12
    n-methylformamide 665.19
    2-pentanol 608.77
    n-pentane 102.51
    1-propoxy-2-propanol 570.29
    1-methoxy-2-propyl acetate 485.35
    2-(2-methoxypropoxy) propanol 350.98
    mesitylene 390.47
    ε-caprolactone 1271.45
    p-cymene 319.28
    epichlorohydrin 1749.77
    1,1,1-trichloroethane 1730.86
    2-aminoethanol 280.33
    morpholine-4-carbaldehyde 992.65
    sulfolane 1067.63
    2,2,4-trimethylpentane 57.88
    2-methyltetrahydrofuran 1402.59
    n-hexyl acetate 692.27
    isooctane 53.01
    2-(2-butoxyethoxy)ethanol 502.49
    sec-butyl acetate 320.11
    tert-butyl acetate 423.08
    decalin 102.95
    glycerin 218.44
    diglyme 832.42
    acrylic acid 479.31
    isopropyl myristate 252.22
    n-butyric acid 922.94
    acetyl acetate 419.36
    di(2-ethylhexyl) phthalate 272.57
    ethyl propionate 366.3
    nitromethane 889.5
    1,2-diethoxyethane 517.43
    benzonitrile 1363.92
    trioctyl phosphate 193.16
    1-bromopropane 1060.12
    gamma-valerolactone 1771.47
    n-decanol 230.48
    triethyl phosphate 208.06
    4-methyl-2-pentanol 337.61
    propionitrile 961.63
    vinylene carbonate 1066.14
    1,1,2-trichlorotrifluoroethane 862.08
    DMS 413.51
    cumene 322.24
    2-octanol 316.94
    2-hexanone 536.1
    octyl acetate 314.73
    limonene 378.11
    1,2-dimethoxyethane 869.26
    ethyl orthosilicate 203.48
    tributyl phosphate 210.9
    diacetone alcohol 466.64
    N,N-dimethylaniline 393.72
    acrylonitrile 1075.93
    aniline 1054.64
    1,3-propanediol 537.59
    bromobenzene 1555.61
    dibromomethane 2328.13
    1,1,2,2-tetrachloroethane 2252.65
    2-methyl-cyclohexyl acetate 388.37
    tetrabutyl urea 277.72
    diisobutyl methanol 231.13
    2-phenylethanol 746.13
    styrene 627.14
    dioctyl adipate 327.61
    dimethyl sulfate 313.3
    ethyl butyrate 443.85
    methyl lactate 248.24
    butyl lactate 368.68
    diethyl carbonate 310.7
    propanediol butyl ether 452.44
    triethyl orthoformate 303.16
    p-tert-butyltoluene 283.72
    methyl 4-tert-butylbenzoate 467.72
    morpholine 1719.47
    tert-butylamine 575.53
    n-dodecanol 175.84
    dimethoxymethane 645.05
    ethylene carbonate 874.61
    cyrene 428.48
    2-ethoxyethyl acetate 545.54
    2-ethylhexyl acetate 507.71
    1,2,4-trichlorobenzene 1056.06
    4-methylpyridine 2175.65
    dibutyl ether 336.83
    2,6-dimethyl-4-heptanol 231.13
    DEF 631.17
    dimethyl isosorbide 682.53
    tetrachloroethylene 1442.48
    eugenol 452.76
    triacetin 428.43
    span 80 400.65
    1,4-butanediol 247.54
    1,1-dichloroethane 1950.89
    2-methyl-1-pentanol 539.69
    methyl formate 574.15
    2-methyl-1-butanol 728.84
    n-decane 67.01
    butyronitrile 1193.26
    3,7-dimethyl-1-octanol 328.29
    1-chlorooctane 278.82
    1-chlorotetradecane 108.13
    n-nonane 63.21
    undecane 49.5
    tert-butylcyclohexane 84.0
    cyclooctane 66.94
    cyclopentanol 1000.07
    tetrahydropyran 1757.6
    tert-amyl methyl ether 359.59
    2,5,8-trioxanonane 541.03
    1-hexene 313.99
    2-isopropoxyethanol 349.39
    2,2,2-trifluoroethanol 227.9
    methyl butyrate 550.74

    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

Botanical

Name CAS Botanical Proportion
Agarwood 2 Aquilaria agallocha Roxb., fam. Thymelaeaceae 0.05%