trans-(-)-3,7-Dimethyl-6-(3-methyl-1-oxo-2-butenyl)-2-cycloocten-1-one

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  • Identifiers

    CAS number
    151484-84-3

    Molecular formula
    C15H22O2

    SMILES
    C[C@@H]1CC(=O)/C=C(\CC[C@H]1C(=O)C=C(C)C)/C

    Safety labels

  • Odor profile

    Fragrance
    Mint 72.86%
    Herbal 61.0%
    Fruity 59.1%
    Sweet 56.21%
    Green 49.06%
    Woody 45.33%
    Tobacco 40.32%
    Camphoreous 40.31%
    Floral 39.65%
    Spicy 35.46%

     

    Flavor
    Minty 42.33%
    Phenolic 30.91%
    Spice 29.56%
    Sweet 26.6%
    Spicy 26.53%
    Herbal 26.37%
    Mint 25.47%
    Caramel 24.79%
    Peppermint 23.02%
    Fresh 22.7%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.55 (weak base)

    Molecular weight
    234.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    372°C

    Flash point

    • 144.29 ˚C est.

  • Synonyms

    • 2-Cycloocten-1-one, 3,7-dimethyl-6-(3-methyl-1-oxo-2-butenyl)-, trans-(-)-
    • trans-(-)-3,7-Dimethyl-6-(3-methyl-1-oxo-2-butenyl)-2-cycloocten-1-one
    • 151484-84-3
    • RefChem:1100207
    • (2Z,6R,7R)-3,7-dimethyl-6-(3-methylbut-2-enoyl)cyclooct-2-en-1-one
    • Spartidienedione
    • 151484-84-3

  • Applications

    trans-(-)-3,7-Dimethyl-6-(3-methyl-1-oxo-2-butenyl)-2-cycloocten-1-one (CAS 151484-84-3) is a chiral cyclooctenone that is commonly used as a fragrance ingredient and odorant in perfumery and cosmetics; it also serves as a stereochemically defined intermediate or building block for synthetic routes to cyclic enone-containing specialty chemicals, including pharmaceutical and agrochemical applications; in household products it may function as a fragrance component, and it can be evaluated as a chiral starting material in process development for fine chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 527.76
    methanol 694.96
    isopropanol 497.93
    water 1.23
    ethyl acetate 314.02
    n-propanol 412.9
    acetone 515.37
    n-butanol 411.15
    acetonitrile 457.75
    DMF 585.47
    toluene 270.05
    isobutanol 328.88
    1,4-dioxane 758.03
    methyl acetate 285.17
    THF 1195.51
    2-butanone 353.71
    n-pentanol 269.0
    sec-butanol 341.59
    n-hexane 54.0
    ethylene glycol 62.55
    NMP 616.33
    cyclohexane 100.42
    DMSO 356.41
    n-butyl acetate 252.98
    n-octanol 160.68
    chloroform 1351.0
    n-propyl acetate 191.61
    acetic acid 440.05
    dichloromethane 939.73
    cyclohexanone 683.94
    propylene glycol 137.62
    isopropyl acetate 207.59
    DMAc 385.63
    2-ethoxyethanol 217.56
    isopentanol 317.21
    n-heptane 31.09
    ethyl formate 250.56
    1,2-dichloroethane 483.69
    n-hexanol 347.82
    2-methoxyethanol 423.69
    isobutyl acetate 143.55
    tetrachloromethane 134.93
    n-pentyl acetate 176.25
    transcutol 727.62
    n-heptanol 153.04
    ethylbenzene 141.75
    MIBK 222.08
    2-propoxyethanol 408.19
    tert-butanol 456.85
    MTBE 260.32
    2-butoxyethanol 210.82
    propionic acid 302.8
    o-xylene 158.11
    formic acid 133.49
    diethyl ether 335.74
    m-xylene 208.46
    p-xylene 183.43
    chlorobenzene 348.82
    dimethyl carbonate 117.04
    n-octane 16.55
    formamide 155.42
    cyclopentanone 728.55
    2-pentanone 338.91
    anisole 220.88
    cyclopentyl methyl ether 452.41
    gamma-butyrolactone 745.14
    1-methoxy-2-propanol 380.03
    pyridine 539.36
    3-pentanone 221.49
    furfural 548.28
    n-dodecane 13.95
    diethylene glycol 274.89
    diisopropyl ether 100.7
    tert-amyl alcohol 291.51
    acetylacetone 315.22
    n-hexadecane 16.36
    acetophenone 216.65
    methyl propionate 245.91
    isopentyl acetate 232.04
    trichloroethylene 943.3
    n-nonanol 132.21
    cyclohexanol 428.55
    benzyl alcohol 232.54
    2-ethylhexanol 163.01
    isooctanol 123.4
    dipropyl ether 162.86
    1,2-dichlorobenzene 279.64
    ethyl lactate 119.79
    propylene carbonate 436.95
    n-methylformamide 289.17
    2-pentanol 283.8
    n-pentane 52.9
    1-propoxy-2-propanol 299.1
    1-methoxy-2-propyl acetate 245.97
    2-(2-methoxypropoxy) propanol 195.65
    mesitylene 122.03
    ε-caprolactone 510.68
    p-cymene 88.67
    epichlorohydrin 682.15
    1,1,1-trichloroethane 485.39
    2-aminoethanol 168.58
    morpholine-4-carbaldehyde 492.3
    sulfolane 646.16
    2,2,4-trimethylpentane 23.9
    2-methyltetrahydrofuran 684.84
    n-hexyl acetate 273.41
    isooctane 21.98
    2-(2-butoxyethoxy)ethanol 278.88
    sec-butyl acetate 130.32
    tert-butyl acetate 223.95
    decalin 43.17
    glycerin 161.94
    diglyme 425.62
    acrylic acid 249.8
    isopropyl myristate 102.38
    n-butyric acid 452.09
    acetyl acetate 214.55
    di(2-ethylhexyl) phthalate 113.79
    ethyl propionate 166.41
    nitromethane 488.82
    1,2-diethoxyethane 243.73
    benzonitrile 319.92
    trioctyl phosphate 83.81
    1-bromopropane 327.8
    gamma-valerolactone 739.46
    n-decanol 97.26
    triethyl phosphate 94.94
    4-methyl-2-pentanol 154.36
    propionitrile 315.46
    vinylene carbonate 393.38
    1,1,2-trichlorotrifluoroethane 394.54
    DMS 193.61
    cumene 98.82
    2-octanol 118.99
    2-hexanone 224.64
    octyl acetate 134.93
    limonene 128.78
    1,2-dimethoxyethane 384.75
    ethyl orthosilicate 92.76
    tributyl phosphate 99.62
    diacetone alcohol 261.88
    N,N-dimethylaniline 157.01
    acrylonitrile 327.52
    aniline 303.45
    1,3-propanediol 267.96
    bromobenzene 343.39
    dibromomethane 662.96
    1,1,2,2-tetrachloroethane 737.66
    2-methyl-cyclohexyl acetate 166.68
    tetrabutyl urea 126.13
    diisobutyl methanol 101.7
    2-phenylethanol 242.39
    styrene 165.75
    dioctyl adipate 142.98
    dimethyl sulfate 164.27
    ethyl butyrate 171.86
    methyl lactate 145.41
    butyl lactate 162.35
    diethyl carbonate 124.34
    propanediol butyl ether 248.67
    triethyl orthoformate 126.91
    p-tert-butyltoluene 86.53
    methyl 4-tert-butylbenzoate 196.56
    morpholine 799.11
    tert-butylamine 269.71
    n-dodecanol 73.41
    dimethoxymethane 356.89
    ethylene carbonate 327.46
    cyrene 219.66
    2-ethoxyethyl acetate 217.41
    2-ethylhexyl acetate 179.3
    1,2,4-trichlorobenzene 338.54
    4-methylpyridine 549.64
    dibutyl ether 154.34
    2,6-dimethyl-4-heptanol 101.7
    DEF 280.37
    dimethyl isosorbide 345.22
    tetrachloroethylene 427.1
    eugenol 188.86
    triacetin 217.52
    span 80 204.51
    1,4-butanediol 118.67
    1,1-dichloroethane 588.81
    2-methyl-1-pentanol 223.63
    methyl formate 243.11
    2-methyl-1-butanol 286.35
    n-decane 25.33
    butyronitrile 397.62
    3,7-dimethyl-1-octanol 141.25
    1-chlorooctane 106.64
    1-chlorotetradecane 40.59
    n-nonane 25.03
    undecane 18.22
    tert-butylcyclohexane 38.49
    cyclooctane 27.55
    cyclopentanol 449.79
    tetrahydropyran 772.36
    tert-amyl methyl ether 179.71
    2,5,8-trioxanonane 287.15
    1-hexene 188.37
    2-isopropoxyethanol 171.69
    2,2,2-trifluoroethanol 144.44
    methyl butyrate 225.61

    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