2-Hydroxy-3,5,5-trimethyl-4-methylenecyclohex-2-en-1-one

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C10H14O2

    SMILES
    CC1=C(C(=O)CC(C1=C)(C)C)O

  • Odor profile

    Sweet 63.75%
    Woody 56.64%
    Tobacco 47.81%
    Caramellic 45.92%
    Mint 42.78%
    Spicy 42.09%
    Camphoreous 41.2%
    Phenolic 39.48%
    Burnt 36.08%
    Dry 35.39%

    Scent© AI

  • Properties

    XLogP3-AA
    1.6

    Molecular weight
    166.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    296°C

    Flash point est.
    106.61 ˚C

  • Synonyms

    • LTFSHRILVMNKDN-UHFFFAOYSA-N
    • 2-hydroxy-3,5,5-trimethyl-4-methylenecyclohex-2-en-1-one

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 335.39
    methanol 485.65
    isopropanol 250.09
    water 7.79
    ethyl acetate 193.6
    n-propanol 265.65
    acetone 251.25
    n-butanol 203.28
    acetonitrile 241.95
    DMF 375.34
    toluene 83.74
    isobutanol 147.64
    1,4-dioxane 674.51
    methyl acetate 196.38
    THF 980.51
    2-butanone 214.36
    n-pentanol 119.02
    sec-butanol 160.17
    n-hexane 12.39
    ethylene glycol 93.82
    NMP 178.74
    cyclohexane 11.75
    DMSO 348.26
    n-butyl acetate 136.99
    n-octanol 99.13
    chloroform 334.64
    n-propyl acetate 90.11
    acetic acid 154.5
    dichloromethane 290.39
    cyclohexanone 223.37
    propylene glycol 75.45
    isopropyl acetate 121.08
    DMAc 147.55
    2-ethoxyethanol 228.41
    isopentanol 142.36
    n-heptane 12.54
    ethyl formate 141.64
    1,2-dichloroethane 232.89
    n-hexanol 226.16
    2-methoxyethanol 435.38
    isobutyl acetate 55.69
    tetrachloromethane 75.18
    n-pentyl acetate 90.8
    transcutol 327.19
    n-heptanol 115.01
    ethylbenzene 56.77
    MIBK 130.46
    2-propoxyethanol 368.47
    tert-butanol 297.96
    MTBE 187.24
    2-butoxyethanol 180.47
    propionic acid 121.28
    o-xylene 61.12
    formic acid 136.88
    diethyl ether 239.44
    m-xylene 79.28
    p-xylene 66.65
    chlorobenzene 114.17
    dimethyl carbonate 76.8
    n-octane 8.37
    formamide 185.93
    cyclopentanone 377.57
    2-pentanone 188.62
    anisole 130.73
    cyclopentyl methyl ether 242.65
    gamma-butyrolactone 422.64
    1-methoxy-2-propanol 329.24
    pyridine 213.56
    3-pentanone 123.25
    furfural 271.31
    n-dodecane 5.92
    diethylene glycol 276.22
    diisopropyl ether 63.3
    tert-amyl alcohol 185.83
    acetylacetone 183.54
    n-hexadecane 6.74
    acetophenone 90.8
    methyl propionate 155.82
    isopentyl acetate 119.07
    trichloroethylene 339.41
    n-nonanol 85.21
    cyclohexanol 120.33
    benzyl alcohol 93.78
    2-ethylhexanol 92.22
    isooctanol 81.89
    dipropyl ether 95.73
    1,2-dichlorobenzene 96.49
    ethyl lactate 53.4
    propylene carbonate 154.96
    n-methylformamide 259.6
    2-pentanol 129.93
    n-pentane 13.09
    1-propoxy-2-propanol 208.55
    1-methoxy-2-propyl acetate 152.64
    2-(2-methoxypropoxy) propanol 108.77
    mesitylene 50.54
    ε-caprolactone 186.54
    p-cymene 40.59
    epichlorohydrin 473.44
    1,1,1-trichloroethane 199.74
    2-aminoethanol 155.71
    morpholine-4-carbaldehyde 289.14
    sulfolane 331.11
    2,2,4-trimethylpentane 10.11
    2-methyltetrahydrofuran 367.98
    n-hexyl acetate 126.21
    isooctane 11.66
    2-(2-butoxyethoxy)ethanol 172.28
    sec-butyl acetate 65.45
    tert-butyl acetate 148.76
    decalin 11.63
    glycerin 119.57
    diglyme 276.07
    acrylic acid 94.96
    isopropyl myristate 48.76
    n-butyric acid 162.27
    acetyl acetate 91.82
    di(2-ethylhexyl) phthalate 45.84
    ethyl propionate 87.91
    nitromethane 298.03
    1,2-diethoxyethane 140.37
    benzonitrile 104.46
    trioctyl phosphate 41.36
    1-bromopropane 136.98
    gamma-valerolactone 428.95
    n-decanol 61.17
    triethyl phosphate 43.88
    4-methyl-2-pentanol 90.35
    propionitrile 187.79
    vinylene carbonate 139.88
    1,1,2-trichlorotrifluoroethane 173.89
    DMS 89.55
    cumene 44.11
    2-octanol 78.66
    2-hexanone 107.36
    octyl acetate 64.5
    limonene 50.64
    1,2-dimethoxyethane 332.0
    ethyl orthosilicate 44.21
    tributyl phosphate 41.99
    diacetone alcohol 187.41
    N,N-dimethylaniline 83.09
    acrylonitrile 198.92
    aniline 115.54
    1,3-propanediol 234.01
    bromobenzene 99.56
    dibromomethane 205.49
    1,1,2,2-tetrachloroethane 241.5
    2-methyl-cyclohexyl acetate 75.33
    tetrabutyl urea 53.97
    diisobutyl methanol 59.49
    2-phenylethanol 143.51
    styrene 54.45
    dioctyl adipate 55.89
    dimethyl sulfate 116.93
    ethyl butyrate 83.04
    methyl lactate 80.42
    butyl lactate 68.47
    diethyl carbonate 52.34
    propanediol butyl ether 119.66
    triethyl orthoformate 57.8
    p-tert-butyltoluene 45.07
    methyl 4-tert-butylbenzoate 110.09
    morpholine 589.19
    tert-butylamine 157.72
    n-dodecanol 43.42
    dimethoxymethane 347.08
    ethylene carbonate 120.17
    cyrene 104.69
    2-ethoxyethyl acetate 119.51
    2-ethylhexyl acetate 85.05
    1,2,4-trichlorobenzene 102.22
    4-methylpyridine 185.09
    dibutyl ether 67.95
    2,6-dimethyl-4-heptanol 59.49
    DEF 133.23
    dimethyl isosorbide 196.03
    tetrachloroethylene 178.16
    eugenol 112.79
    triacetin 75.35
    span 80 97.38
    1,4-butanediol 79.99
    1,1-dichloroethane 229.15
    2-methyl-1-pentanol 91.54
    methyl formate 218.49
    2-methyl-1-butanol 120.25
    n-decane 11.28
    butyronitrile 184.2
    3,7-dimethyl-1-octanol 79.07
    1-chlorooctane 50.34
    1-chlorotetradecane 17.92
    n-nonane 10.28
    undecane 7.95
    tert-butylcyclohexane 14.44
    cyclooctane 6.05
    cyclopentanol 176.21
    tetrahydropyran 419.37
    tert-amyl methyl ether 122.68
    2,5,8-trioxanonane 172.73
    1-hexene 52.03
    2-isopropoxyethanol 148.23
    2,2,2-trifluoroethanol 85.58
    methyl butyrate 102.72

    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
Saffron 2 8022-19-3 Crocus sativus L., fam. Iridaceae 0.01%