5-(8,10-Dihydroxy-11-(hydroxymethyl)-4,7-dimethyltridecyl)-6-ethyl-4-hydroxy-4,5-dimethyl-2-cyclohexen-1-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    189156-42-1

    Molecular formula
    C26H48O5

    SMILES
    CCC1C(=O)C=CC(C1(C)CCCC(C)CCC(C)C(CC(C(CC)CO)O)O)(C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 66.71%
    Sandalwood 37.68%
    Mint 36.45%
    Amber 35.93%
    Dry 31.31%
    Cooling 30.95%
    Balsamic 30.94%
    Odorless 29.5%
    Sweet 29.09%
    Herbal 27.14%

     

    Flavor
    Bitter 32.58%
    Herbal 31.84%
    Mild 29.08%
    Green 26.65%
    Floral 23.87%
    Odorless 23.56%
    Fresh 22.34%
    Cedarleaf 20.78%
    Bland 20.73%
    Woody 20.57%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    7.79 (neutral)

    Molecular weight
    440.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    355°C

    Flash point

    • 233.76 ˚C est.

  • Synonyms

    • DTXSID201029633
    • 5-(8,10-Dihydroxy-11-(hydroxymethyl)-4,7-dimethyltridecyl)-6-ethyl-4-hydroxy-4,5-dimethyl-2-cyclohexen-1-one
    • 5-[8,10-Dihydroxy-11-(hydroxymethyl)-4,7-dimethyltridecyl]-6-ethyl-4-hydroxy-4,5-dimethyl-2-cyclohexen-1-one
    • RefChem:1072488
    • DTXCID501514843
    • Momordol
    • SCHEMBL29376481
    • CHEBI:172680
    • Q6897454
    • 189156-42-1
    • 5-[8,10-dihydroxy-11-(hydroxymethyl)-4,7-dimethyltridecyl]-6-ethyl-4-hydroxy-4,5-dimethylcyclohex-2-en-1-one
    • 189156-42-1

  • Applications

    The chemical 5-(8,10-Dihydroxy-11-(hydroxymethyl)-4,7-dimethyltridecyl)-6-ethyl-4-hydroxy-4,5-dimethyl-2-cyclohexen-1-one (CAS 189156-42-1) may be used as a fragrance ingredient or fragrance intermediate in perfumery; it can be applied in cosmetics and personal care formulations to contribute a scent profile; suitable as a scent component in household cleaning products; and can serve as a building block or intermediate in industrial manufacturing for the synthesis of aroma compounds and related specialty materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 85.01
    methanol 142.35
    isopropanol 28.66
    water 0.24
    ethyl acetate 24.72
    n-propanol 55.45
    acetone 51.67
    n-butanol 31.22
    acetonitrile 5.73
    DMF 157.62
    toluene 12.83
    isobutanol 28.05
    1,4-dioxane 135.73
    methyl acetate 19.48
    THF 444.49
    2-butanone 36.86
    n-pentanol 27.22
    sec-butanol 21.58
    n-hexane 1.1
    ethylene glycol 8.22
    NMP 169.31
    cyclohexane 2.21
    DMSO 293.71
    n-butyl acetate 20.4
    n-octanol 19.02
    chloroform 38.53
    n-propyl acetate 17.48
    acetic acid 63.16
    dichloromethane 31.66
    cyclohexanone 86.09
    propylene glycol 18.46
    isopropyl acetate 23.27
    DMAc 181.85
    2-ethoxyethanol 86.83
    isopentanol 23.57
    n-heptane 0.98
    ethyl formate 18.5
    1,2-dichloroethane 23.94
    n-hexanol 29.63
    2-methoxyethanol 143.21
    isobutyl acetate 14.59
    tetrachloromethane 8.06
    n-pentyl acetate 30.2
    transcutol 213.1
    n-heptanol 26.43
    ethylbenzene 7.92
    MIBK 29.43
    2-propoxyethanol 109.07
    tert-butanol 30.57
    MTBE 21.71
    2-butoxyethanol 79.1
    propionic acid 28.32
    o-xylene 10.13
    formic acid 36.69
    diethyl ether 23.45
    m-xylene 10.44
    p-xylene 8.26
    chlorobenzene 13.79
    dimethyl carbonate 21.36
    n-octane 0.6
    formamide 41.41
    cyclopentanone 131.86
    2-pentanone 35.6
    anisole 24.16
    cyclopentyl methyl ether 63.82
    gamma-butyrolactone 124.44
    1-methoxy-2-propanol 100.6
    pyridine 49.35
    3-pentanone 24.38
    furfural 80.35
    n-dodecane 0.36
    diethylene glycol 70.98
    diisopropyl ether 6.23
    tert-amyl alcohol 23.46
    acetylacetone 58.73
    n-hexadecane 0.42
    acetophenone 28.99
    methyl propionate 29.06
    isopentyl acetate 23.92
    trichloroethylene 49.07
    n-nonanol 18.86
    cyclohexanol 27.06
    benzyl alcohol 29.25
    2-ethylhexanol 13.16
    isooctanol 19.62
    dipropyl ether 13.8
    1,2-dichlorobenzene 14.97
    ethyl lactate 18.67
    propylene carbonate 45.73
    n-methylformamide 56.68
    2-pentanol 13.46
    n-pentane 0.9
    1-propoxy-2-propanol 62.33
    1-methoxy-2-propyl acetate 50.49
    2-(2-methoxypropoxy) propanol 53.6
    mesitylene 6.28
    ε-caprolactone 76.86
    p-cymene 6.27
    epichlorohydrin 125.01
    1,1,1-trichloroethane 16.72
    2-aminoethanol 34.78
    morpholine-4-carbaldehyde 161.35
    sulfolane 210.2
    2,2,4-trimethylpentane 1.04
    2-methyltetrahydrofuran 96.42
    n-hexyl acetate 36.31
    isooctane 0.71
    2-(2-butoxyethoxy)ethanol 89.01
    sec-butyl acetate 14.88
    tert-butyl acetate 33.93
    decalin 1.52
    glycerin 38.81
    diglyme 151.82
    acrylic acid 27.69
    isopropyl myristate 9.99
    n-butyric acid 39.86
    acetyl acetate 21.55
    di(2-ethylhexyl) phthalate 18.9
    ethyl propionate 16.72
    nitromethane 66.13
    1,2-diethoxyethane 40.55
    benzonitrile 16.38
    trioctyl phosphate 13.54
    1-bromopropane 10.82
    gamma-valerolactone 204.15
    n-decanol 10.72
    triethyl phosphate 12.85
    4-methyl-2-pentanol 11.1
    propionitrile 8.54
    vinylene carbonate 38.72
    1,1,2-trichlorotrifluoroethane 91.97
    DMS 25.68
    cumene 5.98
    2-octanol 12.93
    2-hexanone 23.35
    octyl acetate 15.93
    limonene 9.14
    1,2-dimethoxyethane 104.5
    ethyl orthosilicate 13.73
    tributyl phosphate 12.37
    diacetone alcohol 53.58
    N,N-dimethylaniline 19.46
    acrylonitrile 11.68
    aniline 20.83
    1,3-propanediol 53.36
    bromobenzene 11.3
    dibromomethane 18.54
    1,1,2,2-tetrachloroethane 43.64
    2-methyl-cyclohexyl acetate 23.24
    tetrabutyl urea 19.04
    diisobutyl methanol 7.32
    2-phenylethanol 32.6
    styrene 7.87
    dioctyl adipate 20.96
    dimethyl sulfate 50.61
    ethyl butyrate 17.11
    methyl lactate 31.7
    butyl lactate 33.75
    diethyl carbonate 10.65
    propanediol butyl ether 70.25
    triethyl orthoformate 18.05
    p-tert-butyltoluene 6.28
    methyl 4-tert-butylbenzoate 47.69
    morpholine 174.11
    tert-butylamine 11.68
    n-dodecanol 5.98
    dimethoxymethane 133.82
    ethylene carbonate 34.0
    cyrene 67.69
    2-ethoxyethyl acetate 55.48
    2-ethylhexyl acetate 18.01
    1,2,4-trichlorobenzene 20.83
    4-methylpyridine 34.87
    dibutyl ether 10.63
    2,6-dimethyl-4-heptanol 7.32
    DEF 49.1
    dimethyl isosorbide 96.13
    tetrachloroethylene 34.18
    eugenol 48.14
    triacetin 45.88
    span 80 53.91
    1,4-butanediol 19.16
    1,1-dichloroethane 14.42
    2-methyl-1-pentanol 21.27
    methyl formate 37.22
    2-methyl-1-butanol 23.08
    n-decane 0.91
    butyronitrile 10.67
    3,7-dimethyl-1-octanol 14.1
    1-chlorooctane 5.66
    1-chlorotetradecane 1.48
    n-nonane 0.79
    undecane 0.54
    tert-butylcyclohexane 1.24
    cyclooctane 0.87
    cyclopentanol 40.67
    tetrahydropyran 86.21
    tert-amyl methyl ether 18.27
    2,5,8-trioxanonane 91.13
    1-hexene 4.19
    2-isopropoxyethanol 54.29
    2,2,2-trifluoroethanol 24.71
    methyl butyrate 22.57

    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