1-Oxaspiro(4.5)decan-6-ol, 2,6,10,10-tetramethyl-, acetate, (2R,5S,6R)-rel-

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  • Identifiers

    CAS number
    57967-72-3

    Molecular formula
    C15H26O3

    SMILES
    C[C@@H]1CC[C@@]2(O1)[C@](CCCC2(C)C)(C)OC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 87.82%
    Woody 77.9%
    Herbal 75.41%
    Floral 72.56%
    Green 66.76%
    Fresh 50.56%
    Sweet 50.3%
    Mint 49.65%
    Camphoreous 46.43%
    Pine 41.47%

     

    Flavor
    Herbal 66.31%
    Sweet 65.78%
    Woody 52.56%
    Camphor 45.98%
    Pine 37.26%
    Fruity 35.42%
    Tobacco 34.84%
    Mint 32.18%
    Minty 31.75%
    Citrus 30.76%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    7.97 (neutral)

    Molecular weight
    254.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    291°C

    Flash point

    • 120.58 ˚C est.

    Solubility expt.

    • Soluble in fats; insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • FEMA No. 3651
    • 57967-72-3
    • 5V7Y54AAIG
    • 1-Oxaspiro(4.5)decan-6-ol, 2,6,10,10-tetramethyl-, acetate, (2R,5S,6R)-rel-
    • [(2R,5S,6R)-2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-yl] acetate
    • 57893-27-3
    • (2alpha,5alpha(S*))-2,6,10,10-Tetramethyl-1-oxaspiro(4.5)decan-6-yl acetate
    • 1-Oxaspiro(4.5)decan-6-ol, 2,6,10,10-tetramethyl-, 6-acetate, (2R,5S,6S)-rel-
    • 1-Oxaspiro(4.5)decan-6-ol, 2,6,10,10-tetramethyl-, acetate, (2alpha,5alpha(S))-
    • 1-Oxaspiro(4.5)decan-6-ol, 2,6,10,10-tetramethyl-, acetate, (2R,5S,6S)-rel-
    • EINECS 261-048-8
    • UNII-5V7Y54AAIG
    • LTAWGWRPOGXHBD-DFBGVHRSSA-N
    • DTXSID101340575
    • EINECS 261-005-3
    • [2alpha,5alpha(R*)]-2,6,10,10-tetramethyl1-oxaspiro[4.5]decan-6-yl acetate
    • 1-Oxaspiro(4.5)decan-6-ol, 2,6,10,10-tetramethyl-, 6-acetate, (2R,5S,6R)-rel-
    • 6-ACETOXYDIHYDROTHEASPIRANE [FHFI]
    • NS00123299
    • Q27262918
    • (2alpha,5alpha(R*))-2,6,10,10-Tetramethyl1-oxaspiro(4.5)decan-6-ylacetate
    • (2R,5S,6R)-rel-1-Oxaspiro[4.5]decan-6-ol, 2,6,10,10-tetramethyl-, 6-acetate
    • 57967-72-3

  • Applications

    CAS 57967-72-3, the chemical name 1-Oxaspiro(4.5)decan-6-ol, 2,6,10,10-tetramethyl-, acetate, (2R,5S,6R)-rel-, is typically encountered as an odorant and fragrance ingredient in perfumery, and may be used in cosmetics and household products to impart specific scents; it is also used as a stereochemically defined intermediate or building block in the synthesis of more complex fragrance molecules and other specialty organics in industrial manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 557.04
    methanol 863.9
    isopropanol 574.46
    water 8.05
    ethyl acetate 838.36
    n-propanol 667.78
    acetone 953.47
    n-butanol 580.96
    acetonitrile 883.76
    DMF 1477.48
    toluene 1208.92
    isobutanol 578.71
    1,4-dioxane 1316.44
    methyl acetate 873.65
    THF 2109.17
    2-butanone 954.88
    n-pentanol 356.85
    sec-butanol 568.78
    n-hexane 69.89
    ethylene glycol 159.22
    NMP 1690.38
    cyclohexane 224.03
    DMSO 778.65
    n-butyl acetate 519.95
    n-octanol 268.91
    chloroform 3658.27
    n-propyl acetate 491.5
    acetic acid 772.44
    dichloromethane 2918.43
    cyclohexanone 1764.43
    propylene glycol 215.61
    isopropyl acetate 600.18
    DMAc 1136.16
    2-ethoxyethanol 434.54
    isopentanol 466.76
    n-heptane 48.63
    ethyl formate 635.41
    1,2-dichloroethane 1353.09
    n-hexanol 461.61
    2-methoxyethanol 764.25
    isobutyl acetate 377.91
    tetrachloromethane 600.34
    n-pentyl acetate 442.32
    transcutol 666.94
    n-heptanol 243.14
    ethylbenzene 483.78
    MIBK 507.89
    2-propoxyethanol 675.14
    tert-butanol 584.74
    MTBE 535.75
    2-butoxyethanol 357.99
    propionic acid 650.78
    o-xylene 635.41
    formic acid 318.97
    diethyl ether 584.69
    m-xylene 761.3
    p-xylene 653.88
    chlorobenzene 1295.05
    dimethyl carbonate 442.17
    n-octane 26.18
    formamide 395.1
    cyclopentanone 1847.56
    2-pentanone 773.59
    anisole 661.76
    cyclopentyl methyl ether 1066.64
    gamma-butyrolactone 2137.83
    1-methoxy-2-propanol 631.12
    pyridine 1565.11
    3-pentanone 690.95
    furfural 1537.98
    n-dodecane 25.16
    diethylene glycol 437.84
    diisopropyl ether 222.46
    tert-amyl alcohol 470.22
    acetylacetone 891.3
    n-hexadecane 30.47
    acetophenone 639.47
    methyl propionate 734.02
    isopentyl acetate 474.28
    trichloroethylene 2679.02
    n-nonanol 224.39
    cyclohexanol 840.47
    benzyl alcohol 559.73
    2-ethylhexanol 263.12
    isooctanol 203.93
    dipropyl ether 246.1
    1,2-dichlorobenzene 1028.44
    ethyl lactate 259.52
    propylene carbonate 1141.41
    n-methylformamide 844.55
    2-pentanol 406.58
    n-pentane 89.5
    1-propoxy-2-propanol 397.99
    1-methoxy-2-propyl acetate 537.21
    2-(2-methoxypropoxy) propanol 299.61
    mesitylene 416.63
    ε-caprolactone 1432.34
    p-cymene 225.62
    epichlorohydrin 1787.94
    1,1,1-trichloroethane 1524.65
    2-aminoethanol 320.18
    morpholine-4-carbaldehyde 1381.08
    sulfolane 1720.39
    2,2,4-trimethylpentane 61.08
    2-methyltetrahydrofuran 1396.66
    n-hexyl acetate 613.55
    isooctane 43.47
    2-(2-butoxyethoxy)ethanol 350.0
    sec-butyl acetate 384.67
    tert-butyl acetate 533.87
    decalin 111.94
    glycerin 302.66
    diglyme 709.09
    acrylic acid 580.72
    isopropyl myristate 207.19
    n-butyric acid 808.72
    acetyl acetate 701.44
    di(2-ethylhexyl) phthalate 213.18
    ethyl propionate 498.56
    nitromethane 1288.46
    1,2-diethoxyethane 318.23
    benzonitrile 949.23
    trioctyl phosphate 159.37
    1-bromopropane 907.48
    gamma-valerolactone 1976.01
    n-decanol 151.89
    triethyl phosphate 205.39
    4-methyl-2-pentanol 238.09
    propionitrile 878.81
    vinylene carbonate 1154.75
    1,1,2-trichlorotrifluoroethane 954.0
    DMS 595.36
    cumene 300.21
    2-octanol 211.64
    2-hexanone 474.87
    octyl acetate 263.81
    limonene 291.39
    1,2-dimethoxyethane 793.55
    ethyl orthosilicate 190.85
    tributyl phosphate 192.72
    diacetone alcohol 442.07
    N,N-dimethylaniline 427.05
    acrylonitrile 1010.51
    aniline 838.59
    1,3-propanediol 439.18
    bromobenzene 1497.49
    dibromomethane 1843.95
    1,1,2,2-tetrachloroethane 2017.49
    2-methyl-cyclohexyl acetate 354.74
    tetrabutyl urea 245.6
    diisobutyl methanol 139.63
    2-phenylethanol 539.1
    styrene 574.24
    dioctyl adipate 264.52
    dimethyl sulfate 641.6
    ethyl butyrate 377.93
    methyl lactate 358.27
    butyl lactate 308.16
    diethyl carbonate 282.71
    propanediol butyl ether 305.92
    triethyl orthoformate 262.07
    p-tert-butyltoluene 215.21
    methyl 4-tert-butylbenzoate 451.36
    morpholine 1384.5
    tert-butylamine 382.02
    n-dodecanol 108.04
    dimethoxymethane 949.49
    ethylene carbonate 988.87
    cyrene 409.04
    2-ethoxyethyl acetate 506.4
    2-ethylhexyl acetate 405.23
    1,2,4-trichlorobenzene 1140.64
    4-methylpyridine 1657.78
    dibutyl ether 218.24
    2,6-dimethyl-4-heptanol 139.63
    DEF 764.73
    dimethyl isosorbide 596.78
    tetrachloroethylene 1395.64
    eugenol 401.74
    triacetin 499.29
    span 80 285.12
    1,4-butanediol 200.05
    1,1-dichloroethane 1509.34
    2-methyl-1-pentanol 343.15
    methyl formate 747.9
    2-methyl-1-butanol 498.99
    n-decane 44.88
    butyronitrile 784.62
    3,7-dimethyl-1-octanol 214.95
    1-chlorooctane 211.26
    1-chlorotetradecane 78.52
    n-nonane 42.32
    undecane 32.3
    tert-butylcyclohexane 84.46
    cyclooctane 74.99
    cyclopentanol 913.89
    tetrahydropyran 1388.2
    tert-amyl methyl ether 424.2
    2,5,8-trioxanonane 446.59
    1-hexene 236.52
    2-isopropoxyethanol 320.25
    2,2,2-trifluoroethanol 355.05
    methyl butyrate 647.58

    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