(10E)-12-(2-hydroxy-5-methoxy-3-methylphenyl)-2,10-dimethyldodeca-2,10-diene-4,8-dione

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  • Identifiers

    CAS number
    133301-13-0

    Molecular formula
    C22H30O4

    SMILES
    CC1=CC(=CC(=C1O)C/C=C(\C)/CC(=O)CCCC(=O)C=C(C)C)OC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 54.48%
    Floral 50.48%
    Woody 45.39%
    Sweet 41.05%
    Dry 36.59%
    Spicy 35.16%
    Rose 31.21%
    Berry 27.39%
    Powdery 27.06%
    Raspberry 26.96%

     

    Flavor
    Herbal 26.18%
    Spicy 23.17%
    Bitter 21.89%
    Fruity 21.84%
    Woody 21.18%
    Heather 19.98%
    Genet 19.95%
    Leaves 19.9%
    Broom 19.87%
    Ethyl benzoate 19.64%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    9.79 (weak base)

    Molecular weight
    358.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    515°C

    Flash point

    • 191.95 ˚C est.

  • Synonyms

    • Mediterraneone
    • 133301-13-0
    • (10E)-12-(2-hydroxy-5-methoxy-3-methylphenyl)-2,10-dimethyldodeca-2,10-diene-4,8-dione
    • mediterranenone
    • CHEMBL463068
    • SCHEMBL29350440
    • DTXSID801126100
    • (10E)-12-(2-Hydroxy-5-methoxy-3-methylphenyl)-2,10-dimethyl-2,10-dodecadiene-4,8-dione
    • 2,10-Dodecadiene-4,8-dione, 12-(2-hydroxy-5-methoxy-3-methylphenyl)-2,10-dimethyl-, (E)-
    • 133301-13-0

  • Applications

    CAS 133301-13-0, identified as (10E)-12-(2-hydroxy-5-methoxy-3-methylphenyl)-2,10-dimethyldodeca-2,10-diene-4,8-dione, primarily functions as an intermediate in organic synthesis and is evaluated for several applications across specialty-chemicals sectors. It may be used as a synthetic building block for fragrance compounds and odorants, as a dye or pigment precursor for coatings and inks, and as a precursor in polymer and monomer development for specialty polymers. Additionally, its conjugated diene-dione chromophore may be explored as a component in optical or electronic materials. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 191.14
    methanol 227.72
    isopropanol 118.96
    water 0.09
    ethyl acetate 123.7
    n-propanol 135.03
    acetone 272.72
    n-butanol 92.32
    acetonitrile 69.69
    DMF 267.54
    toluene 29.18
    isobutanol 77.35
    1,4-dioxane 272.45
    methyl acetate 111.09
    THF 721.56
    2-butanone 153.8
    n-pentanol 81.17
    sec-butanol 87.43
    n-hexane 1.91
    ethylene glycol 9.92
    NMP 182.41
    cyclohexane 2.15
    DMSO 380.54
    n-butyl acetate 56.44
    n-octanol 31.0
    chloroform 298.17
    n-propyl acetate 70.08
    acetic acid 183.69
    dichloromethane 270.68
    cyclohexanone 202.07
    propylene glycol 38.5
    isopropyl acetate 71.56
    DMAc 353.52
    2-ethoxyethanol 179.87
    isopentanol 68.6
    n-heptane 1.09
    ethyl formate 62.88
    1,2-dichloroethane 146.07
    n-hexanol 54.13
    2-methoxyethanol 246.62
    isobutyl acetate 52.53
    tetrachloromethane 16.45
    n-pentyl acetate 49.89
    transcutol 376.8
    n-heptanol 33.56
    ethylbenzene 19.92
    MIBK 73.24
    2-propoxyethanol 164.93
    tert-butanol 135.15
    MTBE 82.41
    2-butoxyethanol 94.98
    propionic acid 83.92
    o-xylene 16.97
    formic acid 47.01
    diethyl ether 80.12
    m-xylene 18.04
    p-xylene 26.93
    chlorobenzene 51.77
    dimethyl carbonate 55.83
    n-octane 1.07
    formamide 76.82
    cyclopentanone 260.16
    2-pentanone 120.04
    anisole 73.54
    cyclopentyl methyl ether 120.2
    gamma-butyrolactone 246.44
    1-methoxy-2-propanol 193.79
    pyridine 127.64
    3-pentanone 76.87
    furfural 149.59
    n-dodecane 1.25
    diethylene glycol 108.02
    diisopropyl ether 13.33
    tert-amyl alcohol 94.29
    acetylacetone 157.6
    n-hexadecane 1.45
    acetophenone 74.88
    methyl propionate 102.7
    isopentyl acetate 60.59
    trichloroethylene 275.14
    n-nonanol 31.59
    cyclohexanol 65.26
    benzyl alcohol 72.42
    2-ethylhexanol 28.23
    isooctanol 29.0
    dipropyl ether 30.66
    1,2-dichlorobenzene 50.21
    ethyl lactate 47.08
    propylene carbonate 105.55
    n-methylformamide 97.84
    2-pentanol 47.72
    n-pentane 1.04
    1-propoxy-2-propanol 101.73
    1-methoxy-2-propyl acetate 96.35
    2-(2-methoxypropoxy) propanol 87.99
    mesitylene 9.69
    ε-caprolactone 156.15
    p-cymene 10.76
    epichlorohydrin 357.52
    1,1,1-trichloroethane 99.1
    2-aminoethanol 48.42
    morpholine-4-carbaldehyde 223.61
    sulfolane 251.6
    2,2,4-trimethylpentane 1.86
    2-methyltetrahydrofuran 218.14
    n-hexyl acetate 71.03
    isooctane 1.12
    2-(2-butoxyethoxy)ethanol 120.36
    sec-butyl acetate 47.48
    tert-butyl acetate 86.48
    decalin 2.85
    glycerin 50.57
    diglyme 230.92
    acrylic acid 65.16
    isopropyl myristate 25.01
    n-butyric acid 124.3
    acetyl acetate 75.33
    di(2-ethylhexyl) phthalate 34.21
    ethyl propionate 60.2
    nitromethane 265.45
    1,2-diethoxyethane 101.06
    benzonitrile 54.59
    trioctyl phosphate 22.43
    1-bromopropane 56.69
    gamma-valerolactone 325.35
    n-decanol 22.02
    triethyl phosphate 32.94
    4-methyl-2-pentanol 28.82
    propionitrile 58.1
    vinylene carbonate 90.65
    1,1,2-trichlorotrifluoroethane 176.72
    DMS 65.85
    cumene 14.54
    2-octanol 22.86
    2-hexanone 82.9
    octyl acetate 35.26
    limonene 16.11
    1,2-dimethoxyethane 256.22
    ethyl orthosilicate 32.88
    tributyl phosphate 27.75
    diacetone alcohol 118.84
    N,N-dimethylaniline 47.73
    acrylonitrile 68.76
    aniline 52.6
    1,3-propanediol 91.27
    bromobenzene 44.3
    dibromomethane 138.07
    1,1,2,2-tetrachloroethane 227.82
    2-methyl-cyclohexyl acetate 53.47
    tetrabutyl urea 39.0
    diisobutyl methanol 15.91
    2-phenylethanol 61.37
    styrene 24.11
    dioctyl adipate 46.17
    dimethyl sulfate 95.14
    ethyl butyrate 48.19
    methyl lactate 57.36
    butyl lactate 53.68
    diethyl carbonate 35.48
    propanediol butyl ether 81.1
    triethyl orthoformate 43.62
    p-tert-butyltoluene 10.5
    methyl 4-tert-butylbenzoate 75.87
    morpholine 353.29
    tert-butylamine 43.54
    n-dodecanol 15.0
    dimethoxymethane 242.15
    ethylene carbonate 78.04
    cyrene 100.7
    2-ethoxyethyl acetate 93.55
    2-ethylhexyl acetate 43.93
    1,2,4-trichlorobenzene 63.99
    4-methylpyridine 113.64
    dibutyl ether 35.53
    2,6-dimethyl-4-heptanol 15.91
    DEF 111.89
    dimethyl isosorbide 152.37
    tetrachloroethylene 112.63
    eugenol 74.92
    triacetin 91.11
    span 80 75.2
    1,4-butanediol 43.13
    1,1-dichloroethane 129.48
    2-methyl-1-pentanol 66.74
    methyl formate 79.6
    2-methyl-1-butanol 67.92
    n-decane 2.57
    butyronitrile 61.84
    3,7-dimethyl-1-octanol 30.13
    1-chlorooctane 16.08
    1-chlorotetradecane 5.17
    n-nonane 2.06
    undecane 1.72
    tert-butylcyclohexane 2.86
    cyclooctane 0.68
    cyclopentanol 77.84
    tetrahydropyran 209.62
    tert-amyl methyl ether 57.56
    2,5,8-trioxanonane 152.38
    1-hexene 14.92
    2-isopropoxyethanol 117.68
    2,2,2-trifluoroethanol 47.69
    methyl butyrate 80.77

    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