6-(2-Hydroxy-6-methylhept-5-en-2-yl)-3-methylcyclohex-2-en-1-one

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  • Identifiers

    CAS number
    95672-95-0

    Molecular formula
    C15H24O2

    SMILES
    CC1=CC(=O)[C@@H](CC1)[C@@](C)(CCC=C(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Floral 78.22%
    Fruity 67.79%
    Sweet 59.44%
    Woody 58.13%
    Rose 45.47%
    Fresh 43.96%
    Herbal 40.46%
    Spicy 36.72%
    Citrus 35.95%
    Berry 33.79%

     

    Flavor
    Floral 43.52%
    Herbal 43.01%
    Minty 41.72%
    Fresh 41.61%
    Green 38.18%
    Woody 29.71%
    Flower 29.59%
    Mint 27.8%
    Herb 26.35%
    Spicy 25.86%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.79 (weak base)

    Molecular weight
    236.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    352°C

    Flash point

    • 136.64 ˚C est.

  • Synonyms

    • 95672-95-0
    • DTXSID00914875
    • 6-(2-hydroxy-6-methylhept-5-en-2-yl)-3-methylcyclohex-2-en-1-one
    • RefChem:1073675
    • DTXCID701343860
    • (+-)-Epihernandulcin
    • (R*,S*)-(+-)-6-(1-Hydroxy-1,5-dimethyl-4-hexenyl)-3-methyl-2-cyclohexen-1-one
    • 2-Cyclohexen-1-one, 6-(1-hydroxy-1,5-dimethyl-4-hexenyl)-3-methyl-, (R*,S*)-(+-)-
    • SCHEMBL30708208
    • SCHEMBL30708209
    • (6S)-6-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-3-methylcyclohex-2-en-1-one
    • 95672-95-0

  • Applications

    The compound 6-(2-Hydroxy-6-methylhept-5-en-2-yl)-3-methylcyclohex-2-en-1-one (CAS 95672-95-0) is typically regarded as an odorant/fragrance ingredient in perfumery and fragrance formulations; it may be used in cosmetics and personal care as a fragrance component; it can be present in household products as a fragrance additive for cleaners and detergents; it can serve as an intermediate in fragrance chemistry or as a building block in the synthesis of aroma compounds in industrial manufacturing; it may also be used in coatings and inks to impart scent. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 708.79
    methanol 836.81
    isopropanol 593.64
    water 0.55
    ethyl acetate 448.31
    n-propanol 472.55
    acetone 506.85
    n-butanol 458.29
    acetonitrile 325.0
    DMF 592.71
    toluene 245.21
    isobutanol 322.97
    1,4-dioxane 1230.72
    methyl acetate 340.29
    THF 1612.58
    2-butanone 365.68
    n-pentanol 275.47
    sec-butanol 363.21
    n-hexane 44.92
    ethylene glycol 51.11
    NMP 457.46
    cyclohexane 98.9
    DMSO 404.21
    n-butyl acetate 373.36
    n-octanol 206.56
    chloroform 894.44
    n-propyl acetate 240.1
    acetic acid 364.91
    dichloromethane 580.06
    cyclohexanone 602.18
    propylene glycol 157.5
    isopropyl acetate 319.35
    DMAc 481.43
    2-ethoxyethanol 312.35
    isopentanol 398.33
    n-heptane 37.9
    ethyl formate 254.29
    1,2-dichloroethane 344.02
    n-hexanol 465.47
    2-methoxyethanol 669.27
    isobutyl acetate 194.28
    tetrachloromethane 98.53
    n-pentyl acetate 216.8
    transcutol 1608.75
    n-heptanol 191.03
    ethylbenzene 121.39
    MIBK 268.46
    2-propoxyethanol 641.16
    tert-butanol 674.7
    MTBE 454.41
    2-butoxyethanol 318.57
    propionic acid 252.93
    o-xylene 138.6
    formic acid 113.1
    diethyl ether 457.58
    m-xylene 176.58
    p-xylene 166.83
    chlorobenzene 275.25
    dimethyl carbonate 137.49
    n-octane 15.59
    formamide 146.12
    cyclopentanone 605.68
    2-pentanone 360.51
    anisole 261.3
    cyclopentyl methyl ether 531.42
    gamma-butyrolactone 633.45
    1-methoxy-2-propanol 588.56
    pyridine 479.96
    3-pentanone 230.19
    furfural 476.02
    n-dodecane 16.19
    diethylene glycol 371.4
    diisopropyl ether 152.63
    tert-amyl alcohol 402.69
    acetylacetone 387.29
    n-hexadecane 18.76
    acetophenone 210.34
    methyl propionate 288.45
    isopentyl acetate 342.01
    trichloroethylene 652.18
    n-nonanol 181.43
    cyclohexanol 409.58
    benzyl alcohol 206.11
    2-ethylhexanol 230.12
    isooctanol 145.42
    dipropyl ether 253.78
    1,2-dichlorobenzene 227.35
    ethyl lactate 133.82
    propylene carbonate 376.94
    n-methylformamide 233.05
    2-pentanol 301.26
    n-pentane 41.22
    1-propoxy-2-propanol 477.6
    1-methoxy-2-propyl acetate 420.53
    2-(2-methoxypropoxy) propanol 332.03
    mesitylene 121.65
    ε-caprolactone 532.37
    p-cymene 94.31
    epichlorohydrin 704.27
    1,1,1-trichloroethane 383.55
    2-aminoethanol 171.22
    morpholine-4-carbaldehyde 651.57
    sulfolane 483.42
    2,2,4-trimethylpentane 27.34
    2-methyltetrahydrofuran 875.19
    n-hexyl acetate 360.74
    isooctane 28.34
    2-(2-butoxyethoxy)ethanol 500.77
    sec-butyl acetate 191.16
    tert-butyl acetate 353.42
    decalin 43.09
    glycerin 192.96
    diglyme 742.03
    acrylic acid 182.18
    isopropyl myristate 141.31
    n-butyric acid 493.73
    acetyl acetate 285.6
    di(2-ethylhexyl) phthalate 137.94
    ethyl propionate 206.07
    nitromethane 447.41
    1,2-diethoxyethane 463.84
    benzonitrile 270.2
    trioctyl phosphate 104.72
    1-bromopropane 247.23
    gamma-valerolactone 821.93
    n-decanol 129.28
    triethyl phosphate 117.65
    4-methyl-2-pentanol 200.57
    propionitrile 278.63
    vinylene carbonate 330.99
    1,1,2-trichlorotrifluoroethane 404.57
    DMS 237.12
    cumene 91.23
    2-octanol 135.75
    2-hexanone 245.93
    octyl acetate 179.32
    limonene 141.51
    1,2-dimethoxyethane 621.21
    ethyl orthosilicate 121.45
    tributyl phosphate 129.07
    diacetone alcohol 395.09
    N,N-dimethylaniline 168.29
    acrylonitrile 258.31
    aniline 286.74
    1,3-propanediol 336.51
    bromobenzene 258.07
    dibromomethane 383.17
    1,1,2,2-tetrachloroethane 581.71
    2-methyl-cyclohexyl acetate 210.49
    tetrabutyl urea 151.15
    diisobutyl methanol 131.59
    2-phenylethanol 287.56
    styrene 141.81
    dioctyl adipate 192.57
    dimethyl sulfate 159.87
    ethyl butyrate 232.37
    methyl lactate 167.5
    butyl lactate 196.01
    diethyl carbonate 164.15
    propanediol butyl ether 337.04
    triethyl orthoformate 184.66
    p-tert-butyltoluene 101.67
    methyl 4-tert-butylbenzoate 242.21
    morpholine 1264.19
    tert-butylamine 404.07
    n-dodecanol 98.59
    dimethoxymethane 521.08
    ethylene carbonate 309.27
    cyrene 243.41
    2-ethoxyethyl acetate 307.91
    2-ethylhexyl acetate 257.53
    1,2,4-trichlorobenzene 273.95
    4-methylpyridine 492.76
    dibutyl ether 228.95
    2,6-dimethyl-4-heptanol 131.59
    DEF 338.6
    dimethyl isosorbide 507.07
    tetrachloroethylene 320.46
    eugenol 219.03
    triacetin 289.42
    span 80 324.01
    1,4-butanediol 97.82
    1,1-dichloroethane 395.67
    2-methyl-1-pentanol 236.13
    methyl formate 186.15
    2-methyl-1-butanol 302.71
    n-decane 28.31
    butyronitrile 376.85
    3,7-dimethyl-1-octanol 199.64
    1-chlorooctane 111.82
    1-chlorotetradecane 47.34
    n-nonane 25.42
    undecane 20.57
    tert-butylcyclohexane 43.15
    cyclooctane 30.76
    cyclopentanol 363.04
    tetrahydropyran 1071.27
    tert-amyl methyl ether 268.48
    2,5,8-trioxanonane 512.72
    1-hexene 163.23
    2-isopropoxyethanol 247.99
    2,2,2-trifluoroethanol 94.84
    methyl butyrate 267.1

    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