5-Hydroxy-4,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C10H14O2

    SMILES
    CC1=CC=C(C(C1O)(C)C)C=O

  • Odor profile

    Sweet 51.46%
    Woody 47.84%
    Mint 42.92%
    Spicy 40.47%
    Herbal 39.21%
    Camphoreous 31.83%
    Caramellic 31.66%
    Tobacco 30.94%
    Floral 30.75%
    Phenolic 28.01%

    Scent© AI

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    7.56 (neutral)

    Molecular weight
    166.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    258°C

    Flash point est.
    121.05 ˚C

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 180.53
    methanol 226.41
    isopropanol 110.65
    water 2.92
    ethyl acetate 272.22
    n-propanol 142.15
    acetone 285.71
    n-butanol 111.64
    acetonitrile 262.12
    DMF 403.38
    toluene 104.17
    isobutanol 81.44
    1,4-dioxane 464.48
    methyl acetate 265.58
    THF 870.66
    2-butanone 243.99
    n-pentanol 63.43
    sec-butanol 80.49
    n-hexane 5.51
    ethylene glycol 39.75
    NMP 350.51
    cyclohexane 8.81
    DMSO 321.54
    n-butyl acetate 135.19
    n-octanol 45.88
    chloroform 389.95
    n-propyl acetate 127.76
    acetic acid 194.82
    dichloromethane 426.25
    cyclohexanone 282.96
    propylene glycol 35.82
    isopropyl acetate 150.12
    DMAc 204.51
    2-ethoxyethanol 154.98
    isopentanol 87.36
    n-heptane 7.9
    ethyl formate 169.5
    1,2-dichloroethane 283.18
    n-hexanol 101.03
    2-methoxyethanol 295.16
    isobutyl acetate 70.08
    tetrachloromethane 73.74
    n-pentyl acetate 77.19
    transcutol 457.48
    n-heptanol 55.1
    ethylbenzene 47.24
    MIBK 124.04
    2-propoxyethanol 205.5
    tert-butanol 141.21
    MTBE 127.55
    2-butoxyethanol 117.65
    propionic acid 139.2
    o-xylene 62.9
    formic acid 133.95
    diethyl ether 190.6
    m-xylene 80.99
    p-xylene 63.36
    chlorobenzene 140.86
    dimethyl carbonate 113.48
    n-octane 4.13
    formamide 239.66
    cyclopentanone 559.61
    2-pentanone 206.53
    anisole 135.76
    cyclopentyl methyl ether 245.31
    gamma-butyrolactone 675.22
    1-methoxy-2-propanol 212.79
    pyridine 262.85
    3-pentanone 154.55
    furfural 389.56
    n-dodecane 3.11
    diethylene glycol 158.52
    diisopropyl ether 50.37
    tert-amyl alcohol 97.11
    acetylacetone 244.13
    n-hexadecane 3.68
    acetophenone 119.69
    methyl propionate 217.95
    isopentyl acetate 114.6
    trichloroethylene 523.71
    n-nonanol 42.93
    cyclohexanol 87.98
    benzyl alcohol 86.36
    2-ethylhexanol 53.75
    isooctanol 43.38
    dipropyl ether 77.87
    1,2-dichlorobenzene 129.96
    ethyl lactate 58.54
    propylene carbonate 263.47
    n-methylformamide 271.3
    2-pentanol 71.15
    n-pentane 6.53
    1-propoxy-2-propanol 123.16
    1-methoxy-2-propyl acetate 173.06
    2-(2-methoxypropoxy) propanol 101.74
    mesitylene 47.65
    ε-caprolactone 250.49
    p-cymene 36.29
    epichlorohydrin 627.4
    1,1,1-trichloroethane 260.56
    2-aminoethanol 82.67
    morpholine-4-carbaldehyde 351.34
    sulfolane 479.92
    2,2,4-trimethylpentane 5.59
    2-methyltetrahydrofuran 365.87
    n-hexyl acetate 108.04
    isooctane 6.33
    2-(2-butoxyethoxy)ethanol 150.46
    sec-butyl acetate 82.7
    tert-butyl acetate 161.61
    decalin 7.92
    glycerin 70.66
    diglyme 277.16
    acrylic acid 131.47
    isopropyl myristate 41.92
    n-butyric acid 177.29
    acetyl acetate 164.46
    di(2-ethylhexyl) phthalate 44.22
    ethyl propionate 118.32
    nitromethane 450.09
    1,2-diethoxyethane 146.78
    benzonitrile 128.51
    trioctyl phosphate 34.26
    1-bromopropane 122.18
    gamma-valerolactone 528.8
    n-decanol 30.44
    triethyl phosphate 55.8
    4-methyl-2-pentanol 50.22
    propionitrile 178.07
    vinylene carbonate 233.17
    1,1,2-trichlorotrifluoroethane 215.28
    DMS 116.78
    cumene 34.42
    2-octanol 34.1
    2-hexanone 106.95
    octyl acetate 54.21
    limonene 46.99
    1,2-dimethoxyethane 248.43
    ethyl orthosilicate 52.66
    tributyl phosphate 40.13
    diacetone alcohol 159.69
    N,N-dimethylaniline 78.35
    acrylonitrile 217.88
    aniline 124.84
    1,3-propanediol 138.78
    bromobenzene 135.97
    dibromomethane 230.8
    1,1,2,2-tetrachloroethane 307.05
    2-methyl-cyclohexyl acetate 81.12
    tetrabutyl urea 49.65
    diisobutyl methanol 38.5
    2-phenylethanol 104.68
    styrene 55.82
    dioctyl adipate 61.02
    dimethyl sulfate 173.64
    ethyl butyrate 102.51
    methyl lactate 87.13
    butyl lactate 60.99
    diethyl carbonate 72.58
    propanediol butyl ether 83.77
    triethyl orthoformate 67.27
    p-tert-butyltoluene 37.3
    methyl 4-tert-butylbenzoate 109.15
    morpholine 452.6
    tert-butylamine 78.14
    n-dodecanol 21.78
    dimethoxymethane 308.44
    ethylene carbonate 191.35
    cyrene 119.05
    2-ethoxyethyl acetate 132.9
    2-ethylhexyl acetate 85.73
    1,2,4-trichlorobenzene 153.83
    4-methylpyridine 237.51
    dibutyl ether 52.0
    2,6-dimethyl-4-heptanol 38.5
    DEF 183.35
    dimethyl isosorbide 229.79
    tetrachloroethylene 209.38
    eugenol 97.83
    triacetin 109.38
    span 80 76.86
    1,4-butanediol 39.21
    1,1-dichloroethane 275.45
    2-methyl-1-pentanol 56.06
    methyl formate 244.72
    2-methyl-1-butanol 72.88
    n-decane 5.72
    butyronitrile 157.93
    3,7-dimethyl-1-octanol 43.57
    1-chlorooctane 29.97
    1-chlorotetradecane 11.12
    n-nonane 5.1
    undecane 4.12
    tert-butylcyclohexane 8.55
    cyclooctane 4.17
    cyclopentanol 133.19
    tetrahydropyran 319.85
    tert-amyl methyl ether 89.61
    2,5,8-trioxanonane 175.16
    1-hexene 26.5
    2-isopropoxyethanol 103.22
    2,2,2-trifluoroethanol 108.82
    methyl butyrate 144.24

    Scent© AI

1 3

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
Fitweed leaf Eryngium foetidum L., fam. Apiaceae (Umbelliferae) 3.49%
Fitweed root Eryngium foetidum L., fam. Apiaceae (Umbelliferae) 19.82%