1-Oxaspiro[4.5]deca-3,6-diene, 2,7-dimethyl-10-(1-methylethyl)-

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  • Identifiers

    CAS number
    89079-92-5

    Molecular formula
    C14H22O

    SMILES
    CC1C=CC2(O1)C=C(CCC2C(C)C)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 85.99%
    Tropical 47.57%
    Black currant 42.23%
    Berry 39.14%
    Spicy 35.7%
    Mint 35.13%
    Herbal 34.42%
    Fresh 29.14%
    Woody 28.35%
    Grapefruit 23.77%

     

    Flavor
    Herbal 54.9%
    Green 47.91%
    Spice 41.31%
    Herb 40.19%
    Minty 38.69%
    Fresh 36.48%
    Mint 32.88%
    Wood 30.46%
    Woody 29.35%
    Spicy 25.57%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.72 (weak base)

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    246°C

    Flash point

    • 94.68 ˚C est.

  • Synonyms

    • 89079-92-5
    • 1-Oxaspiro[4.5]deca-3,6-diene, 2,7-dimethyl-10-(1-methylethyl)-
    • 2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.5]deca-3,9-diene
    • 1-Oxaspiro(4.5)deca-3,6-diene, 2,7-dimethyl-10-(1-methylethyl)-
    • DTXSID4051407
    • 10-ISOPROPYL-2,7-DIMETHYL-1-OXASPIRO[4.5]DECA-3,6-DIENE
    • Neocaspirene
    • 2,7-dimethyl-10-(propan-2-yl)-1-oxaspiro[4.5]deca-3,6-diene
    • 10-Isopropyl-2,7-dimethyl-1-oxaspiro(4.5)deca-3,6-diene
    • 2,7-dimethyl-10-(propan-2-yl)-1-oxaspiro(4.5)deca-3,6-diene
    • SCHEMBL2360972
    • DTXCID8030009
    • CHEBI:179834
    • QQLMXACDDRGTPU-UHFFFAOYSA-N
    • NS00020455
    • 2,7-Dimethyl-10-(1-methylethyl)-1-oxaspiro[4.5]deca-3,6-diene, 9CI

  • Applications

    The compound 1-Oxaspiro[4.5]deca-3,6-diene, 2,7-dimethyl-10-(1-methylethyl)- (CAS 89079-92-5) is primarily used as a fragrance ingredient and intermediate in fragrance chemistry, supporting applications in perfumery and cosmetics/personal care as a scent component; it may be employed in household products as a fragrance additive, and is evaluated as a specialty intermediate in industrial manufacturing for aroma-related compounds, with potential use in coatings/inks as a fragrance modifier.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 161.66
    methanol 107.02
    isopropanol 185.11
    water 0.3
    ethyl acetate 262.6
    n-propanol 192.74
    acetone 225.77
    n-butanol 231.22
    acetonitrile 158.87
    DMF 196.64
    toluene 528.23
    isobutanol 203.55
    1,4-dioxane 519.43
    methyl acetate 225.96
    THF 862.37
    2-butanone 290.97
    n-pentanol 180.5
    sec-butanol 224.66
    n-hexane 162.02
    ethylene glycol 22.97
    NMP 371.57
    cyclohexane 349.59
    DMSO 162.42
    n-butyl acetate 357.01
    n-octanol 256.95
    chloroform 1266.86
    n-propyl acetate 205.7
    acetic acid 123.6
    dichloromethane 843.2
    cyclohexanone 578.08
    propylene glycol 54.15
    isopropyl acetate 224.63
    DMAc 253.79
    2-ethoxyethanol 132.98
    isopentanol 241.38
    n-heptane 179.84
    ethyl formate 148.92
    1,2-dichloroethane 405.74
    n-hexanol 393.49
    2-methoxyethanol 167.31
    isobutyl acetate 198.71
    tetrachloromethane 259.51
    n-pentyl acetate 268.59
    transcutol 473.26
    n-heptanol 207.16
    ethylbenzene 293.16
    MIBK 231.53
    2-propoxyethanol 296.41
    tert-butanol 238.07
    MTBE 302.27
    2-butoxyethanol 196.76
    propionic acid 139.91
    o-xylene 315.32
    formic acid 22.14
    diethyl ether 323.72
    m-xylene 358.18
    p-xylene 349.61
    chlorobenzene 481.78
    dimethyl carbonate 91.48
    n-octane 72.53
    formamide 32.21
    cyclopentanone 543.31
    2-pentanone 279.85
    anisole 308.3
    cyclopentyl methyl ether 497.13
    gamma-butyrolactone 469.49
    1-methoxy-2-propanol 183.69
    pyridine 498.2
    3-pentanone 244.83
    furfural 360.11
    n-dodecane 69.41
    diethylene glycol 145.18
    diisopropyl ether 161.61
    tert-amyl alcohol 230.78
    acetylacetone 257.01
    n-hexadecane 78.61
    acetophenone 287.54
    methyl propionate 200.18
    isopentyl acetate 361.39
    trichloroethylene 774.11
    n-nonanol 226.65
    cyclohexanol 387.66
    benzyl alcohol 232.41
    2-ethylhexanol 295.72
    isooctanol 185.55
    dipropyl ether 293.31
    1,2-dichlorobenzene 406.12
    ethyl lactate 113.59
    propylene carbonate 349.14
    n-methylformamide 80.28
    2-pentanol 208.79
    n-pentane 160.26
    1-propoxy-2-propanol 260.9
    1-methoxy-2-propyl acetate 284.38
    2-(2-methoxypropoxy) propanol 266.38
    mesitylene 253.1
    ε-caprolactone 493.1
    p-cymene 235.48
    epichlorohydrin 478.9
    1,1,1-trichloroethane 577.78
    2-aminoethanol 58.07
    morpholine-4-carbaldehyde 309.93
    sulfolane 469.24
    2,2,4-trimethylpentane 86.42
    2-methyltetrahydrofuran 699.73
    n-hexyl acetate 432.69
    isooctane 71.35
    2-(2-butoxyethoxy)ethanol 286.59
    sec-butyl acetate 190.71
    tert-butyl acetate 243.77
    decalin 153.59
    glycerin 64.54
    diglyme 387.6
    acrylic acid 105.62
    isopropyl myristate 225.06
    n-butyric acid 247.75
    acetyl acetate 200.16
    di(2-ethylhexyl) phthalate 214.03
    ethyl propionate 192.34
    nitromethane 146.8
    1,2-diethoxyethane 269.07
    benzonitrile 361.28
    trioctyl phosphate 159.79
    1-bromopropane 451.98
    gamma-valerolactone 479.91
    n-decanol 180.6
    triethyl phosphate 154.52
    4-methyl-2-pentanol 152.77
    propionitrile 205.28
    vinylene carbonate 292.57
    1,1,2-trichlorotrifluoroethane 280.0
    DMS 253.43
    cumene 220.5
    2-octanol 183.43
    2-hexanone 237.93
    octyl acetate 279.74
    limonene 308.91
    1,2-dimethoxyethane 285.88
    ethyl orthosilicate 150.7
    tributyl phosphate 170.62
    diacetone alcohol 215.96
    N,N-dimethylaniline 244.65
    acrylonitrile 182.32
    aniline 320.91
    1,3-propanediol 101.18
    bromobenzene 618.65
    dibromomethane 733.8
    1,1,2,2-tetrachloroethane 673.29
    2-methyl-cyclohexyl acetate 308.48
    tetrabutyl urea 206.01
    diisobutyl methanol 161.14
    2-phenylethanol 326.09
    styrene 313.66
    dioctyl adipate 277.92
    dimethyl sulfate 120.66
    ethyl butyrate 266.3
    methyl lactate 101.44
    butyl lactate 192.82
    diethyl carbonate 188.85
    propanediol butyl ether 202.7
    triethyl orthoformate 198.98
    p-tert-butyltoluene 225.96
    methyl 4-tert-butylbenzoate 307.62
    morpholine 482.9
    tert-butylamine 213.15
    n-dodecanol 153.04
    dimethoxymethane 193.27
    ethylene carbonate 257.81
    cyrene 239.88
    2-ethoxyethyl acetate 280.36
    2-ethylhexyl acetate 336.7
    1,2,4-trichlorobenzene 468.47
    4-methylpyridine 538.18
    dibutyl ether 275.29
    2,6-dimethyl-4-heptanol 161.14
    DEF 234.89
    dimethyl isosorbide 441.04
    tetrachloroethylene 418.18
    eugenol 246.3
    triacetin 331.74
    span 80 289.45
    1,4-butanediol 58.34
    1,1-dichloroethane 503.94
    2-methyl-1-pentanol 218.55
    methyl formate 74.47
    2-methyl-1-butanol 241.98
    n-decane 102.49
    butyronitrile 263.55
    3,7-dimethyl-1-octanol 252.07
    1-chlorooctane 257.29
    1-chlorotetradecane 132.65
    n-nonane 104.98
    undecane 80.98
    tert-butylcyclohexane 126.09
    cyclooctane 157.56
    cyclopentanol 350.92
    tetrahydropyran 727.31
    tert-amyl methyl ether 256.16
    2,5,8-trioxanonane 324.01
    1-hexene 284.0
    2-isopropoxyethanol 140.67
    2,2,2-trifluoroethanol 51.26
    methyl butyrate 228.57

    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