Italicene ether

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  • Identifiers

    CAS number
    104188-25-2

    Molecular formula
    C15H24O

    SMILES
    CC1CCC2C13CCC(=CC3OC2(C)C)C

  • Odor profile

    Fragrance
    Woody 62.77%
    Herbal 59.03%
    Spicy 54.86%
    Fresh 47.22%
    Fruity 44.92%
    Green 39.82%
    Mint 38.77%
    Earthy 36.95%
    Citrus 33.24%
    Camphoreous 32.29%

     

    Flavor
    Herbal 43.38%
    Woody 41.2%
    Earthy 39.8%
    Green 38.67%
    Sweet 37.25%
    Spicy 35.42%
    Herb 34.87%
    Fresh 34.22%
    Wood 33.57%
    Pine 32.4%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.81 (neutral)

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    283°C

    Flash point

    • 143.13 ˚C est.

  • Synonyms

    • Italicene ether
    • (-)-Italicene ether
    • (1R,3aR,5aR,9aS)-1,4,4,7-Tetramethyl-1,2,3,3a,4,5a,8,9-octahydrocyclopenta[c]benzofuran
    • 1H,9H-Cyclopenta[c]benzofuran, 2,3,3a,4,5a,8-hexahydro-1,4,4,7-tetramethyl-, (1.alpha.,3a.alpha.,5a.beta.,9aS*)-(-)-
    • 1H,9H-Cyclopenta[c]benzofuran, 2,3,3a,4,5a,8-hexahydro-1,4,4,7-tetramethyl-, (1R,3aR,5aR,9aS)-rel-(-)-
    • 1,4,4,7-tetramethyl-2,3,3a,5a,8,9-hexahydro-1H-cyclopenta(c)(1)benzofuran
    • 1,4,4,7-tetramethyl-2,3,3a,5a,8,9-hexahydro-1H-cyclopenta[c][1]benzofuran
    • (1R,3aR,5aR,9aS)-1,4,4,7-Tetramethyl-1,2,3,3a,4,5a,8,9-octahydrocyclopenta(c)benzofuran
    • 1H,9H-Cyclopenta(c)benzofuran, 2,3,3a,4,5a,8-hexahydro-1,4,4,7-tetramethyl-, (1R,3aR,5aR,9aS)-rel-(-)-
    • CHEBI:195977
    • 104188-25-2
    • Q67880198
    • 1,4,4,7-tetramethyl-2,3,3a,5a,8,9-hexahydro-1H-cyclopenta[c][1]benzouran
    • 1H,9H-Cyclopenta(c)benzofuran, 2,3,3a,4,5a,8-hexahydro-1,4,4,7-tetramethyl-, (1alpha,3aalpha,5abeta,9aS*)-(-)-

  • Applications

    Italicene ether (CAS 104188-25-2) is used as a processing solvent and reaction medium in industrial manufacturing, including coatings, inks, and cleaning formulations; it is commonly evaluated as an organic synthesis intermediate for preparing other aromatic ethers; it can function as a processing additive or plasticizer in polymers and adhesives to tailor viscosity and flexibility; it may serve as a fragrance solvent or odorant in perfumery and cosmetics; and it may act as a solvent or carrier in electronics-related coatings and photoresists.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 115.03
    methanol 103.0
    isopropanol 119.98
    water 2.41
    ethyl acetate 289.19
    n-propanol 148.52
    acetone 255.16
    n-butanol 162.39
    acetonitrile 223.03
    DMF 287.89
    toluene 582.69
    isobutanol 142.38
    1,4-dioxane 593.79
    methyl acetate 292.11
    THF 795.93
    2-butanone 303.49
    n-pentanol 123.68
    sec-butanol 130.55
    n-hexane 60.22
    ethylene glycol 32.61
    NMP 438.91
    cyclohexane 188.34
    DMSO 180.5
    n-butyl acetate 321.83
    n-octanol 167.15
    chloroform 1368.26
    n-propyl acetate 219.41
    acetic acid 146.34
    dichloromethane 951.89
    cyclohexanone 634.37
    propylene glycol 47.88
    isopropyl acetate 257.31
    DMAc 327.02
    2-ethoxyethanol 156.2
    isopentanol 168.4
    n-heptane 87.08
    ethyl formate 190.4
    1,2-dichloroethane 427.97
    n-hexanol 224.55
    2-methoxyethanol 202.93
    isobutyl acetate 226.53
    tetrachloromethane 280.9
    n-pentyl acetate 290.95
    transcutol 464.11
    n-heptanol 166.58
    ethylbenzene 307.4
    MIBK 238.15
    2-propoxyethanol 304.95
    tert-butanol 134.16
    MTBE 203.64
    2-butoxyethanol 231.22
    propionic acid 162.34
    o-xylene 350.92
    formic acid 41.99
    diethyl ether 233.48
    m-xylene 417.54
    p-xylene 389.88
    chlorobenzene 559.49
    dimethyl carbonate 157.24
    n-octane 42.18
    formamide 70.6
    cyclopentanone 620.9
    2-pentanone 268.51
    anisole 370.82
    cyclopentyl methyl ether 448.73
    gamma-butyrolactone 615.78
    1-methoxy-2-propanol 192.89
    pyridine 646.78
    3-pentanone 263.54
    furfural 509.98
    n-dodecane 42.84
    diethylene glycol 184.37
    diisopropyl ether 139.9
    tert-amyl alcohol 127.62
    acetylacetone 344.19
    n-hexadecane 49.38
    acetophenone 346.85
    methyl propionate 257.07
    isopentyl acetate 343.25
    trichloroethylene 898.63
    n-nonanol 160.22
    cyclohexanol 276.4
    benzyl alcohol 264.03
    2-ethylhexanol 197.35
    isooctanol 152.19
    dipropyl ether 227.08
    1,2-dichlorobenzene 522.77
    ethyl lactate 131.89
    propylene carbonate 403.31
    n-methylformamide 136.39
    2-pentanol 132.92
    n-pentane 66.82
    1-propoxy-2-propanol 240.84
    1-methoxy-2-propyl acetate 348.09
    2-(2-methoxypropoxy) propanol 248.96
    mesitylene 283.07
    ε-caprolactone 526.16
    p-cymene 235.79
    epichlorohydrin 561.74
    1,1,1-trichloroethane 550.5
    2-aminoethanol 71.54
    morpholine-4-carbaldehyde 484.16
    sulfolane 495.46
    2,2,4-trimethylpentane 48.52
    2-methyltetrahydrofuran 554.06
    n-hexyl acetate 375.82
    isooctane 45.26
    2-(2-butoxyethoxy)ethanol 271.85
    sec-butyl acetate 215.74
    tert-butyl acetate 266.43
    decalin 106.1
    glycerin 70.69
    diglyme 484.21
    acrylic acid 151.76
    isopropyl myristate 195.28
    n-butyric acid 238.06
    acetyl acetate 280.18
    di(2-ethylhexyl) phthalate 188.88
    ethyl propionate 220.83
    nitromethane 256.74
    1,2-diethoxyethane 252.9
    benzonitrile 448.47
    trioctyl phosphate 142.6
    1-bromopropane 333.04
    gamma-valerolactone 670.34
    n-decanol 127.75
    triethyl phosphate 169.01
    4-methyl-2-pentanol 118.19
    propionitrile 246.86
    vinylene carbonate 434.08
    1,1,2-trichlorotrifluoroethane 319.98
    DMS 327.19
    cumene 221.41
    2-octanol 129.09
    2-hexanone 238.71
    octyl acetate 224.17
    limonene 260.74
    1,2-dimethoxyethane 324.69
    ethyl orthosilicate 165.17
    tributyl phosphate 159.91
    diacetone alcohol 204.75
    N,N-dimethylaniline 261.97
    acrylonitrile 272.11
    aniline 354.02
    1,3-propanediol 110.64
    bromobenzene 695.66
    dibromomethane 685.2
    1,1,2,2-tetrachloroethane 667.62
    2-methyl-cyclohexyl acetate 297.92
    tetrabutyl urea 191.49
    diisobutyl methanol 134.59
    2-phenylethanol 323.62
    styrene 341.21
    dioctyl adipate 247.18
    dimethyl sulfate 201.04
    ethyl butyrate 266.74
    methyl lactate 131.19
    butyl lactate 194.03
    diethyl carbonate 207.03
    propanediol butyl ether 173.32
    triethyl orthoformate 218.14
    p-tert-butyltoluene 222.66
    methyl 4-tert-butylbenzoate 323.8
    morpholine 506.18
    tert-butylamine 114.92
    n-dodecanol 105.4
    dimethoxymethane 277.55
    ethylene carbonate 370.74
    cyrene 256.32
    2-ethoxyethyl acetate 332.58
    2-ethylhexyl acetate 329.68
    1,2,4-trichlorobenzene 567.16
    4-methylpyridine 630.8
    dibutyl ether 190.89
    2,6-dimethyl-4-heptanol 134.59
    DEF 277.81
    dimethyl isosorbide 464.1
    tetrachloroethylene 475.35
    eugenol 280.61
    triacetin 346.74
    span 80 239.62
    1,4-butanediol 61.91
    1,1-dichloroethane 470.41
    2-methyl-1-pentanol 146.94
    methyl formate 134.08
    2-methyl-1-butanol 160.47
    n-decane 62.81
    butyronitrile 246.8
    3,7-dimethyl-1-octanol 170.82
    1-chlorooctane 170.98
    1-chlorotetradecane 88.3
    n-nonane 58.44
    undecane 50.48
    tert-butylcyclohexane 85.54
    cyclooctane 98.11
    cyclopentanol 255.07
    tetrahydropyran 580.6
    tert-amyl methyl ether 183.99
    2,5,8-trioxanonane 349.93
    1-hexene 133.75
    2-isopropoxyethanol 151.89
    2,2,2-trifluoroethanol 94.11
    methyl butyrate 255.0

    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
Helichrysum italicum (Yugoslavia) 8023-95-8 Helichrysum italicum (Roth) G. Don (H. angustifolium D.C.), fam.Asteraceae 0.1%
Boronia megastigma 91771-36-7 Boronia megastigma Nees., fam. Rutaceae 0.02%