Dehydromyodesmone

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  • Identifiers

    CAS number
    39031-29-3

    Molecular formula
    C15H18O2

    SMILES
    C[C@H]1CCC(=C1C(=O)C=C(C)C)C2=COC=C2

    Safety labels

  • Odor profile

    Fragrance
    Fruity 52.49%
    Mint 44.7%
    Floral 44.09%
    Woody 43.37%
    Herbal 36.17%
    Tobacco 34.19%
    Rose 32.88%
    Sweet 32.2%
    Dry 29.5%
    Berry 29.12%

     

    Flavor
    Bitter 41.95%
    Herbal 21.59%
    Minty 21.31%
    Basil 21.25%
    Lovage 21.07%
    Heather 20.21%
    Leaves 19.93%
    Genet 19.8%
    Broom 19.69%
    Cedarleaf 19.53%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.06 (neutral)

    Molecular weight
    230.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    319°C

    Flash point

    • 133.14 ˚C est.

  • Synonyms

    • Dehydromyodesmone
    • 39031-29-3
    • RefChem:131540
    • 1-[(5S)-2-(furan-3-yl)-5-methylcyclopenten-1-yl]-3-methylbut-2-en-1-one
    • CHEBI:4367
    • DTXSID20959869
    • 1-(2-Furan-3-yl-5-methylcyclopenten-1-yl)-3-methylbut-2-en-1-one
    • 1-[(5S)-2-(furan-3-yl)-5-methylcyclopent-1-en-1-yl]-3-methylbut-2-en-1-one
    • C09658
    • Q27106353
    • 1-[2-(furan-3-yl)-5-methylcyclopent-1-en-1-yl]-3-methylbut-2-en-1-one
    • 39031-29-3

  • Applications

    Dehydromyodesmone (CAS 39031-29-3) is often evaluated as a fragrance-related compound. In perfumery, it may be used as an odorant ingredient or fragrance component to impart specific note characteristics. In cosmetics and personal care, it may be employed as a fragrance additive within formulations. In the flavor/aroma sector, it may be evaluated for use as a flavor/aroma ingredient. In household products such as cleaners and detergents, it may serve as a fragrance component to enhance scent profiles. In industrial manufacturing, it may function as an intermediate in organic synthesis or as a building block for further chemical elaboration, subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 555.91
    methanol 666.42
    isopropanol 488.85
    water 0.45
    ethyl acetate 282.19
    n-propanol 554.61
    acetone 473.22
    n-butanol 559.27
    acetonitrile 322.41
    DMF 897.82
    toluene 445.23
    isobutanol 464.01
    1,4-dioxane 691.62
    methyl acetate 310.53
    THF 968.7
    2-butanone 458.93
    n-pentanol 344.33
    sec-butanol 419.71
    n-hexane 16.71
    ethylene glycol 89.16
    NMP 571.83
    cyclohexane 59.84
    DMSO 308.58
    n-butyl acetate 232.63
    n-octanol 143.78
    chloroform 1422.05
    n-propyl acetate 183.82
    acetic acid 328.54
    dichloromethane 1120.0
    cyclohexanone 670.81
    propylene glycol 195.61
    isopropyl acetate 186.1
    DMAc 514.17
    2-ethoxyethanol 302.1
    isopentanol 421.0
    n-heptane 14.64
    ethyl formate 279.12
    1,2-dichloroethane 567.45
    n-hexanol 348.93
    2-methoxyethanol 576.98
    isobutyl acetate 157.13
    tetrachloromethane 129.14
    n-pentyl acetate 165.85
    transcutol 592.58
    n-heptanol 163.62
    ethylbenzene 167.63
    MIBK 219.84
    2-propoxyethanol 423.95
    tert-butanol 399.74
    MTBE 247.33
    2-butoxyethanol 244.28
    propionic acid 266.41
    o-xylene 185.4
    formic acid 101.76
    diethyl ether 253.98
    m-xylene 236.42
    p-xylene 207.59
    chlorobenzene 450.52
    dimethyl carbonate 135.72
    n-octane 9.6
    formamide 166.57
    cyclopentanone 709.04
    2-pentanone 337.04
    anisole 269.67
    cyclopentyl methyl ether 361.25
    gamma-butyrolactone 589.57
    1-methoxy-2-propanol 446.64
    pyridine 777.49
    3-pentanone 246.21
    furfural 543.95
    n-dodecane 11.4
    diethylene glycol 286.02
    diisopropyl ether 69.47
    tert-amyl alcohol 300.51
    acetylacetone 287.58
    n-hexadecane 13.37
    acetophenone 252.99
    methyl propionate 253.41
    isopentyl acetate 223.45
    trichloroethylene 1147.44
    n-nonanol 127.07
    cyclohexanol 489.48
    benzyl alcohol 334.82
    2-ethylhexanol 162.86
    isooctanol 129.72
    dipropyl ether 112.8
    1,2-dichlorobenzene 309.89
    ethyl lactate 122.71
    propylene carbonate 377.39
    n-methylformamide 365.82
    2-pentanol 308.47
    n-pentane 24.13
    1-propoxy-2-propanol 267.86
    1-methoxy-2-propyl acetate 226.03
    2-(2-methoxypropoxy) propanol 196.2
    mesitylene 116.09
    ε-caprolactone 481.24
    p-cymene 89.47
    epichlorohydrin 722.51
    1,1,1-trichloroethane 487.07
    2-aminoethanol 237.92
    morpholine-4-carbaldehyde 534.59
    sulfolane 475.01
    2,2,4-trimethylpentane 19.11
    2-methyltetrahydrofuran 565.87
    n-hexyl acetate 232.65
    isooctane 14.58
    2-(2-butoxyethoxy)ethanol 274.88
    sec-butyl acetate 141.38
    tert-butyl acetate 185.68
    decalin 29.43
    glycerin 212.54
    diglyme 400.34
    acrylic acid 234.32
    isopropyl myristate 94.93
    n-butyric acid 450.03
    acetyl acetate 170.07
    di(2-ethylhexyl) phthalate 117.43
    ethyl propionate 153.89
    nitromethane 377.78
    1,2-diethoxyethane 196.92
    benzonitrile 393.99
    trioctyl phosphate 78.05
    1-bromopropane 354.59
    gamma-valerolactone 738.66
    n-decanol 96.64
    triethyl phosphate 83.82
    4-methyl-2-pentanol 158.35
    propionitrile 347.26
    vinylene carbonate 365.79
    1,1,2-trichlorotrifluoroethane 446.72
    DMS 174.29
    cumene 99.5
    2-octanol 116.3
    2-hexanone 226.15
    octyl acetate 127.63
    limonene 116.96
    1,2-dimethoxyethane 412.45
    ethyl orthosilicate 83.26
    tributyl phosphate 87.66
    diacetone alcohol 255.26
    N,N-dimethylaniline 171.38
    acrylonitrile 395.75
    aniline 469.34
    1,3-propanediol 384.47
    bromobenzene 454.55
    dibromomethane 715.32
    1,1,2,2-tetrachloroethane 820.66
    2-methyl-cyclohexyl acetate 157.42
    tetrabutyl urea 115.46
    diisobutyl methanol 85.07
    2-phenylethanol 296.78
    styrene 210.65
    dioctyl adipate 133.22
    dimethyl sulfate 151.69
    ethyl butyrate 151.72
    methyl lactate 159.05
    butyl lactate 149.52
    diethyl carbonate 113.56
    propanediol butyl ether 254.33
    triethyl orthoformate 111.08
    p-tert-butyltoluene 82.46
    methyl 4-tert-butylbenzoate 179.52
    morpholine 862.49
    tert-butylamine 229.68
    n-dodecanol 73.71
    dimethoxymethane 431.58
    ethylene carbonate 302.29
    cyrene 233.44
    2-ethoxyethyl acetate 211.12
    2-ethylhexyl acetate 169.59
    1,2,4-trichlorobenzene 367.14
    4-methylpyridine 755.32
    dibutyl ether 115.46
    2,6-dimethyl-4-heptanol 85.07
    DEF 328.07
    dimethyl isosorbide 299.09
    tetrachloroethylene 488.37
    eugenol 199.03
    triacetin 178.86
    span 80 201.99
    1,4-butanediol 171.98
    1,1-dichloroethane 609.19
    2-methyl-1-pentanol 300.63
    methyl formate 274.2
    2-methyl-1-butanol 431.23
    n-decane 18.18
    butyronitrile 448.3
    3,7-dimethyl-1-octanol 131.77
    1-chlorooctane 92.57
    1-chlorotetradecane 38.72
    n-nonane 15.96
    undecane 14.04
    tert-butylcyclohexane 26.46
    cyclooctane 14.99
    cyclopentanol 450.37
    tetrahydropyran 715.59
    tert-amyl methyl ether 169.3
    2,5,8-trioxanonane 283.09
    1-hexene 109.8
    2-isopropoxyethanol 225.22
    2,2,2-trifluoroethanol 104.92
    methyl butyrate 222.87

    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