1-Oxaspiro(4.5)deca-3,6-diene, 2,6,10,10-tetramethyl-

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  • Identifiers

    CAS number
    54344-61-5

    Molecular formula
    C13H20O

    SMILES
    CC1C=CC2(O1)C(=CCCC2(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 91.48%
    Berry 54.48%
    Woody 53.01%
    Floral 48.61%
    Black currant 43.07%
    Raspberry 36.65%
    Tropical 34.21%
    Green 31.09%
    Mint 28.9%
    Tobacco 28.6%

     

    Flavor
    Woody 69.27%
    Fruity 53.65%
    Herbal 51.75%
    Floral 49.89%
    Spicy 47.41%
    Green 46.7%
    Earthy 44.06%
    Tobacco 36.32%
    Wood 35.47%
    Musty 32.36%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    9.07 (weak base)

    Molecular weight
    192.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    220°C

    Flash point

    • 90.88 ˚C est.

  • Synonyms

    • 2,6,10,10-tetramethyl-1-oxaspiro[4.5]deca-3,6-diene
    • 1-Oxaspiro[4.5]deca-3,6-diene, 2,6,10,10-tetramethyl-
    • EINECS 259-116-7
    • DTXSID50886098
    • 2,6,10,10-Tetramethyl-1-oxaspiro(4.5)deca-3,6-diene
    • 1-Oxaspiro(4.5)deca-3,6-diene, 2,6,10,10-tetramethyl-
    • RefChem:232782
    • DTXCID101025440
    • 259-116-7
    • 54344-61-5
    • SCHEMBL11470517
    • DB-260408
    • NS00057529
    • 54344-61-5

  • Applications

    1-Oxaspiro(4.5)deca-3,6-diene, 2,6,10,10-tetramethyl- (CAS 54344-61-5) is a specialty synthetic building block used in chemical manufacturing. In industrial contexts it is explored as a reactive intermediate for the preparation of certain polymers and resin systems, including as a crosslinking component in coatings and inks. The spiro-oxacyclic diene framework can be subjected to further transformations in organic synthesis, enabling access to complex fragrance compounds and aroma materials. It is sometimes evaluated as a fragrance or odor-active ingredient for perfumery and cosmetics, and may serve as a precursor or intermediate in the synthesis of materials for advanced applications, subject to formulation constraints. In laboratory settings it can also function as a research reagent for studying spirocyclic chemistry. Its use outside these areas is typically limited to niche formulations under controlled conditions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 231.18
    methanol 239.26
    isopropanol 227.08
    water 2.37
    ethyl acetate 475.42
    n-propanol 283.46
    acetone 438.18
    n-butanol 308.47
    acetonitrile 374.29
    DMF 577.36
    toluene 763.05
    isobutanol 271.26
    1,4-dioxane 699.57
    methyl acetate 431.42
    THF 1055.77
    2-butanone 499.82
    n-pentanol 239.91
    sec-butanol 279.95
    n-hexane 173.83
    ethylene glycol 66.25
    NMP 720.04
    cyclohexane 269.22
    DMSO 321.52
    n-butyl acetate 497.08
    n-octanol 325.25
    chloroform 1775.7
    n-propyl acetate 364.28
    acetic acid 194.38
    dichloromethane 1536.34
    cyclohexanone 850.38
    propylene glycol 87.85
    isopropyl acetate 377.15
    DMAc 567.97
    2-ethoxyethanol 283.29
    isopentanol 290.94
    n-heptane 188.62
    ethyl formate 294.61
    1,2-dichloroethane 792.71
    n-hexanol 414.51
    2-methoxyethanol 374.32
    isobutyl acetate 306.06
    tetrachloromethane 536.62
    n-pentyl acetate 407.3
    transcutol 585.41
    n-heptanol 286.8
    ethylbenzene 484.1
    MIBK 387.91
    2-propoxyethanol 480.48
    tert-butanol 287.18
    MTBE 417.84
    2-butoxyethanol 333.67
    propionic acid 236.21
    o-xylene 539.08
    formic acid 64.78
    diethyl ether 498.43
    m-xylene 637.06
    p-xylene 565.94
    chlorobenzene 760.72
    dimethyl carbonate 255.84
    n-octane 95.66
    formamide 99.38
    cyclopentanone 897.22
    2-pentanone 493.96
    anisole 588.36
    cyclopentyl methyl ether 708.84
    gamma-butyrolactone 845.54
    1-methoxy-2-propanol 325.11
    pyridine 704.41
    3-pentanone 486.5
    furfural 691.75
    n-dodecane 84.39
    diethylene glycol 274.05
    diisopropyl ether 267.24
    tert-amyl alcohol 292.09
    acetylacetone 521.41
    n-hexadecane 96.67
    acetophenone 533.83
    methyl propionate 426.74
    isopentyl acetate 468.99
    trichloroethylene 1436.47
    n-nonanol 271.71
    cyclohexanol 403.98
    benzyl alcohol 351.62
    2-ethylhexanol 341.0
    isooctanol 248.43
    dipropyl ether 431.43
    1,2-dichlorobenzene 786.85
    ethyl lactate 201.28
    propylene carbonate 553.97
    n-methylformamide 245.4
    2-pentanol 259.54
    n-pentane 178.36
    1-propoxy-2-propanol 371.96
    1-methoxy-2-propyl acetate 455.72
    2-(2-methoxypropoxy) propanol 320.29
    mesitylene 473.07
    ε-caprolactone 703.79
    p-cymene 370.61
    epichlorohydrin 860.03
    1,1,1-trichloroethane 985.38
    2-aminoethanol 120.15
    morpholine-4-carbaldehyde 727.93
    sulfolane 830.77
    2,2,4-trimethylpentane 115.51
    2-methyltetrahydrofuran 766.86
    n-hexyl acetate 580.17
    isooctane 101.71
    2-(2-butoxyethoxy)ethanol 362.63
    sec-butyl acetate 314.41
    tert-butyl acetate 398.12
    decalin 182.38
    glycerin 124.08
    diglyme 645.79
    acrylic acid 213.67
    isopropyl myristate 286.89
    n-butyric acid 331.27
    acetyl acetate 355.37
    di(2-ethylhexyl) phthalate 235.8
    ethyl propionate 392.89
    nitromethane 358.56
    1,2-diethoxyethane 382.11
    benzonitrile 581.09
    trioctyl phosphate 190.21
    1-bromopropane 653.42
    gamma-valerolactone 921.59
    n-decanol 208.03
    triethyl phosphate 239.19
    4-methyl-2-pentanol 199.41
    propionitrile 410.61
    vinylene carbonate 571.98
    1,1,2-trichlorotrifluoroethane 480.29
    DMS 445.5
    cumene 374.29
    2-octanol 246.17
    2-hexanone 392.17
    octyl acetate 335.53
    limonene 428.82
    1,2-dimethoxyethane 541.86
    ethyl orthosilicate 231.11
    tributyl phosphate 216.7
    diacetone alcohol 331.62
    N,N-dimethylaniline 454.26
    acrylonitrile 437.22
    aniline 445.94
    1,3-propanediol 187.81
    bromobenzene 987.41
    dibromomethane 1146.14
    1,1,2,2-tetrachloroethane 1116.29
    2-methyl-cyclohexyl acetate 392.1
    tetrabutyl urea 273.32
    diisobutyl methanol 210.78
    2-phenylethanol 448.78
    styrene 520.42
    dioctyl adipate 325.12
    dimethyl sulfate 354.37
    ethyl butyrate 436.12
    methyl lactate 197.8
    butyl lactate 256.35
    diethyl carbonate 308.6
    propanediol butyl ether 257.15
    triethyl orthoformate 306.65
    p-tert-butyltoluene 355.02
    methyl 4-tert-butylbenzoate 470.61
    morpholine 626.32
    tert-butylamine 266.61
    n-dodecanol 167.87
    dimethoxymethane 515.54
    ethylene carbonate 469.33
    cyrene 323.26
    2-ethoxyethyl acetate 431.7
    2-ethylhexyl acetate 437.95
    1,2,4-trichlorobenzene 794.63
    4-methylpyridine 825.13
    dibutyl ether 365.94
    2,6-dimethyl-4-heptanol 210.78
    DEF 522.14
    dimethyl isosorbide 585.94
    tetrachloroethylene 843.95
    eugenol 382.91
    triacetin 455.62
    span 80 293.46
    1,4-butanediol 109.37
    1,1-dichloroethane 851.61
    2-methyl-1-pentanol 252.42
    methyl formate 245.55
    2-methyl-1-butanol 307.01
    n-decane 129.95
    butyronitrile 451.08
    3,7-dimethyl-1-octanol 294.1
    1-chlorooctane 348.95
    1-chlorotetradecane 158.22
    n-nonane 132.46
    undecane 101.84
    tert-butylcyclohexane 168.38
    cyclooctane 165.19
    cyclopentanol 397.28
    tetrahydropyran 733.26
    tert-amyl methyl ether 388.36
    2,5,8-trioxanonane 465.71
    1-hexene 322.58
    2-isopropoxyethanol 245.75
    2,2,2-trifluoroethanol 117.25
    methyl butyrate 449.37

    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