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

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  • Identifiers

    CAS number
    57967-70-1

    Molecular formula
    C13H24O2

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 78.27%
    Herbal 75.12%
    Green 72.32%
    Camphoreous 69.89%
    Earthy 65.16%
    Mint 61.0%
    Pine 54.23%
    Cooling 52.95%
    Fresh 48.27%
    Musty 40.52%

     

    Flavor
    Herbal 42.66%
    Camphor 37.02%
    Earthy 35.37%
    Woody 33.88%
    Minty 32.4%
    Sweet 31.8%
    Pine 25.97%
    Earth 24.71%
    Musty 24.36%
    Mint 24.02%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    8.83 (weak base)

    Molecular weight
    212.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    274°C

    Flash point

    • 114.1 ˚C est.

  • Synonyms

    • DTXSID00886245
    • 1-Oxaspiro[4.5]decan-6-ol, 2,6,10,10-tetramethyl-, (2R,5R,6R)-rel-
    • 57967-70-1
    • EINECS 261-046-7
    • 1-Oxaspiro(4.5)decan-6-ol, 2,6,10,10-tetramethyl-, (2R,5R,6R)-rel-
    • RefChem:232790
    • DTXCID701025581
    • (2R,5R,6R)-2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-6-ol
    • 57967-70-1

  • Applications

    Chemical name: 1-Oxaspiro(4.5)decan-6-ol, 2,6,10,10-tetramethyl-, (2R,5R,6R)-rel-; CAS number: 57967-70-1. The compound is used as a chiral building block and synthetic intermediate in organic chemistry, enabling routes to pharmaceutical and agrochemical components; it may be employed as a scaffold for fragrance or odorant intermediates in perfumery and flavor applications; it can serve as a chiral template for specialty polymers and materials development in plastics and coatings; and it is sometimes evaluated as a starting material or ligand precursor in asymmetric synthesis to support enantioselective routes in industrial manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 652.12
    methanol 1127.15
    isopropanol 579.52
    water 15.01
    ethyl acetate 531.79
    n-propanol 646.24
    acetone 703.22
    n-butanol 554.14
    acetonitrile 714.7
    DMF 1039.08
    toluene 550.33
    isobutanol 513.86
    1,4-dioxane 1000.71
    methyl acetate 514.9
    THF 1716.22
    2-butanone 556.49
    n-pentanol 349.11
    sec-butanol 452.64
    n-hexane 97.62
    ethylene glycol 238.72
    NMP 801.46
    cyclohexane 196.6
    DMSO 671.21
    n-butyl acetate 472.48
    n-octanol 333.76
    chloroform 1977.69
    n-propyl acetate 368.52
    acetic acid 463.31
    dichloromethane 1593.24
    cyclohexanone 935.91
    propylene glycol 269.26
    isopropyl acetate 430.92
    DMAc 615.0
    2-ethoxyethanol 454.03
    isopentanol 431.55
    n-heptane 110.94
    ethyl formate 477.19
    1,2-dichloroethane 808.46
    n-hexanol 512.62
    2-methoxyethanol 823.57
    isobutyl acetate 308.57
    tetrachloromethane 505.04
    n-pentyl acetate 382.72
    transcutol 655.04
    n-heptanol 317.08
    ethylbenzene 295.12
    MIBK 428.53
    2-propoxyethanol 726.22
    tert-butanol 574.52
    MTBE 463.24
    2-butoxyethanol 428.85
    propionic acid 457.52
    o-xylene 366.04
    formic acid 249.46
    diethyl ether 540.33
    m-xylene 460.34
    p-xylene 386.37
    chlorobenzene 602.81
    dimethyl carbonate 308.75
    n-octane 54.11
    formamide 283.18
    cyclopentanone 1168.97
    2-pentanone 537.59
    anisole 448.02
    cyclopentyl methyl ether 726.39
    gamma-butyrolactone 1283.46
    1-methoxy-2-propanol 636.52
    pyridine 771.29
    3-pentanone 417.4
    furfural 941.13
    n-dodecane 50.15
    diethylene glycol 528.0
    diisopropyl ether 247.62
    tert-amyl alcohol 410.38
    acetylacetone 612.26
    n-hexadecane 57.29
    acetophenone 406.62
    methyl propionate 457.94
    isopentyl acetate 443.28
    trichloroethylene 1340.95
    n-nonanol 274.86
    cyclohexanol 551.13
    benzyl alcohol 360.16
    2-ethylhexanol 295.49
    isooctanol 257.04
    dipropyl ether 361.29
    1,2-dichlorobenzene 573.23
    ethyl lactate 233.81
    propylene carbonate 688.58
    n-methylformamide 605.15
    2-pentanol 377.94
    n-pentane 126.28
    1-propoxy-2-propanol 494.97
    1-methoxy-2-propyl acetate 464.98
    2-(2-methoxypropoxy) propanol 306.71
    mesitylene 334.79
    ε-caprolactone 774.22
    p-cymene 236.13
    epichlorohydrin 1104.43
    1,1,1-trichloroethane 917.5
    2-aminoethanol 395.95
    morpholine-4-carbaldehyde 908.46
    sulfolane 1066.67
    2,2,4-trimethylpentane 75.51
    2-methyltetrahydrofuran 903.02
    n-hexyl acetate 533.09
    isooctane 80.08
    2-(2-butoxyethoxy)ethanol 392.67
    sec-butyl acetate 288.1
    tert-butyl acetate 443.96
    decalin 107.35
    glycerin 358.34
    diglyme 733.3
    acrylic acid 398.38
    isopropyl myristate 219.74
    n-butyric acid 539.78
    acetyl acetate 417.57
    di(2-ethylhexyl) phthalate 192.69
    ethyl propionate 362.69
    nitromethane 774.47
    1,2-diethoxyethane 347.86
    benzonitrile 546.61
    trioctyl phosphate 170.79
    1-bromopropane 573.3
    gamma-valerolactone 1268.26
    n-decanol 200.54
    triethyl phosphate 191.91
    4-methyl-2-pentanol 262.9
    propionitrile 658.62
    vinylene carbonate 671.46
    1,1,2-trichlorotrifluoroethane 646.31
    DMS 391.54
    cumene 235.67
    2-octanol 257.97
    2-hexanone 360.85
    octyl acetate 266.68
    limonene 284.59
    1,2-dimethoxyethane 771.59
    ethyl orthosilicate 186.04
    tributyl phosphate 187.95
    diacetone alcohol 409.09
    N,N-dimethylaniline 325.17
    acrylonitrile 745.07
    aniline 445.79
    1,3-propanediol 487.25
    bromobenzene 670.38
    dibromomethane 1067.81
    1,1,2,2-tetrachloroethane 1097.14
    2-methyl-cyclohexyl acetate 303.96
    tetrabutyl urea 223.41
    diisobutyl methanol 204.88
    2-phenylethanol 415.54
    styrene 325.26
    dioctyl adipate 248.74
    dimethyl sulfate 426.15
    ethyl butyrate 361.17
    methyl lactate 292.28
    butyl lactate 292.7
    diethyl carbonate 254.49
    propanediol butyl ether 355.72
    triethyl orthoformate 267.39
    p-tert-butyltoluene 243.31
    methyl 4-tert-butylbenzoate 397.71
    morpholine 941.86
    tert-butylamine 431.55
    n-dodecanol 149.97
    dimethoxymethane 861.96
    ethylene carbonate 597.33
    cyrene 311.06
    2-ethoxyethyl acetate 400.33
    2-ethylhexyl acetate 361.38
    1,2,4-trichlorobenzene 605.1
    4-methylpyridine 785.0
    dibutyl ether 287.33
    2,6-dimethyl-4-heptanol 204.88
    DEF 483.35
    dimethyl isosorbide 540.07
    tetrachloroethylene 821.72
    eugenol 343.51
    triacetin 394.29
    span 80 287.83
    1,4-butanediol 234.09
    1,1-dichloroethane 872.14
    2-methyl-1-pentanol 289.8
    methyl formate 576.07
    2-methyl-1-butanol 415.55
    n-decane 84.95
    butyronitrile 640.52
    3,7-dimethyl-1-octanol 267.97
    1-chlorooctane 250.8
    1-chlorotetradecane 104.22
    n-nonane 83.27
    undecane 63.84
    tert-butylcyclohexane 102.37
    cyclooctane 96.44
    cyclopentanol 639.0
    tetrahydropyran 901.71
    tert-amyl methyl ether 345.76
    2,5,8-trioxanonane 473.52
    1-hexene 232.52
    2-isopropoxyethanol 324.0
    2,2,2-trifluoroethanol 244.58
    methyl butyrate 446.69

    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