Spiro[1,3-dioxolane-2,8'(5'H)-[2H-2,4a]methanonaphthalene], hexahydro-1',1',5',5'-tetramethyl-, (2'S,4'aS,8'aS)-

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  • Identifiers

    CAS number
    154171-77-4

    Molecular formula
    C17H28O2

    SMILES
    CC1(CCC2([C@@H]3[C@@]14CC[C@@H](C4)C3(C)C)OCCO2)C

  • Odor profile

    Fragrance
    Woody 87.48%
    Amber 65.74%
    Dry 60.25%
    Cedar 54.11%
    Musk 46.4%
    Spicy 42.45%
    Camphoreous 39.4%
    Vetiver 39.04%
    Earthy 37.33%
    Pine 36.5%

     

    Flavor
    Earthy 48.72%
    Camphor 41.41%
    Earth 40.04%
    Woody 39.98%
    Pine 34.48%
    Green 34.3%
    Herbal 32.46%
    Spicy 31.79%
    Sweet 31.34%
    Fresh 27.83%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    6.42 (neutral)

    Molecular weight
    264.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    345°C

    Flash point

    • 132.85 ˚C est.

  • Synonyms

    • 154171-77-4
    • Spiro[1,3-dioxolane-2,8'(5'H)-[2H-2,4a]methanonaphthalene], hexahydro-1',1',5',5'-tetramethyl-, (2'S,4'aS,8'aS)-
    • Spiro(1,3-dioxolane-2,8'(5'H)-(2H-2,4a)methanonaphthalene), hexahydro-1',1',5',5'-tetramethyl-, (2'S,4'aS,8'aS)-
    • DTXSID6051350
    • SCHEMBL17627729
    • RTPMDRYHLHGFGT-XEZPLFJOSA-N
    • NS00019509
    • Spiro[1,3-dioxolane-2,8'(5'H)-[2H-2,4a]methanonaphthalene],hexahydro-1',1',5',5'-tetramethyl-, (2'S,4'aS,8'aS)-

  • Applications

    CAS 154171-77-4 corresponds to Spiro[1,3-dioxolane-2,8'(5'H)-[2H-2,4a]methanonaphthalene], hexahydro-1',1',5',5'-tetramethyl-, (2'S,4'aS,8'aS)-, and is primarily used as a synthetic intermediate in organic chemistry. It is commonly employed as a chiral building block for pharmaceutical and agrochemical compounds, enabling enantioselective transformations on a polycyclic naphthalene core. The molecule also functions as a spiroacetal protecting group motif for diol functionality in multi-step sequences, supporting selective deprotection and subsequent diversification. Its rigid, densely substituted core makes it a suitable precursor for specialty polymers or advanced materials development, including coatings or optoelectronic applications, where stereochemical control is advantageous. Additionally, it may be evaluated for niche roles in fragrance chemistry or cosmetic research, subject to formulation requirements and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 98.56
    methanol 102.67
    isopropanol 147.01
    water 3.36
    ethyl acetate 221.38
    n-propanol 144.96
    acetone 295.12
    n-butanol 149.78
    acetonitrile 197.11
    DMF 436.55
    toluene 363.08
    isobutanol 143.68
    1,4-dioxane 428.53
    methyl acetate 243.55
    THF 771.19
    2-butanone 303.59
    n-pentanol 98.68
    sec-butanol 134.1
    n-hexane 20.92
    ethylene glycol 52.06
    NMP 419.69
    cyclohexane 65.77
    DMSO 226.73
    n-butyl acetate 199.32
    n-octanol 111.92
    chloroform 963.88
    n-propyl acetate 165.62
    acetic acid 107.38
    dichloromethane 636.42
    cyclohexanone 556.42
    propylene glycol 76.37
    isopropyl acetate 195.29
    DMAc 325.82
    2-ethoxyethanol 140.09
    isopentanol 129.22
    n-heptane 25.38
    ethyl formate 191.01
    1,2-dichloroethane 385.47
    n-hexanol 146.2
    2-methoxyethanol 230.49
    isobutyl acetate 157.69
    tetrachloromethane 188.12
    n-pentyl acetate 184.34
    transcutol 189.05
    n-heptanol 116.37
    ethylbenzene 174.17
    MIBK 196.51
    2-propoxyethanol 242.7
    tert-butanol 146.76
    MTBE 149.25
    2-butoxyethanol 174.08
    propionic acid 154.17
    o-xylene 238.17
    formic acid 41.92
    diethyl ether 153.95
    m-xylene 268.22
    p-xylene 238.57
    chlorobenzene 405.63
    dimethyl carbonate 166.37
    n-octane 17.57
    formamide 81.2
    cyclopentanone 699.13
    2-pentanone 255.81
    anisole 241.14
    cyclopentyl methyl ether 328.26
    gamma-butyrolactone 661.42
    1-methoxy-2-propanol 239.81
    pyridine 478.91
    3-pentanone 228.48
    furfural 533.22
    n-dodecane 16.74
    diethylene glycol 172.65
    diisopropyl ether 82.87
    tert-amyl alcohol 118.35
    acetylacetone 330.93
    n-hexadecane 20.09
    acetophenone 240.67
    methyl propionate 223.8
    isopentyl acetate 206.39
    trichloroethylene 735.54
    n-nonanol 107.47
    cyclohexanol 223.91
    benzyl alcohol 205.75
    2-ethylhexanol 113.57
    isooctanol 102.54
    dipropyl ether 110.06
    1,2-dichlorobenzene 377.78
    ethyl lactate 131.83
    propylene carbonate 411.07
    n-methylformamide 199.31
    2-pentanol 117.16
    n-pentane 28.03
    1-propoxy-2-propanol 184.86
    1-methoxy-2-propyl acetate 245.18
    2-(2-methoxypropoxy) propanol 153.03
    mesitylene 180.51
    ε-caprolactone 413.7
    p-cymene 128.97
    epichlorohydrin 578.86
    1,1,1-trichloroethane 436.04
    2-aminoethanol 90.35
    morpholine-4-carbaldehyde 449.76
    sulfolane 558.73
    2,2,4-trimethylpentane 21.16
    2-methyltetrahydrofuran 409.46
    n-hexyl acetate 229.6
    isooctane 21.7
    2-(2-butoxyethoxy)ethanol 165.98
    sec-butyl acetate 142.52
    tert-butyl acetate 201.79
    decalin 41.16
    glycerin 105.24
    diglyme 301.23
    acrylic acid 146.15
    isopropyl myristate 114.45
    n-butyric acid 205.91
    acetyl acetate 209.97
    di(2-ethylhexyl) phthalate 119.26
    ethyl propionate 171.57
    nitromethane 269.64
    1,2-diethoxyethane 128.02
    benzonitrile 338.9
    trioctyl phosphate 100.37
    1-bromopropane 230.01
    gamma-valerolactone 665.99
    n-decanol 83.04
    triethyl phosphate 111.99
    4-methyl-2-pentanol 89.99
    propionitrile 224.66
    vinylene carbonate 409.35
    1,1,2-trichlorotrifluoroethane 323.59
    DMS 243.36
    cumene 126.27
    2-octanol 95.66
    2-hexanone 179.93
    octyl acetate 135.65
    limonene 136.9
    1,2-dimethoxyethane 256.33
    ethyl orthosilicate 101.59
    tributyl phosphate 105.17
    diacetone alcohol 194.78
    N,N-dimethylaniline 169.0
    acrylonitrile 284.35
    aniline 266.25
    1,3-propanediol 133.53
    bromobenzene 483.46
    dibromomethane 426.15
    1,1,2,2-tetrachloroethane 571.37
    2-methyl-cyclohexyl acetate 176.22
    tetrabutyl urea 129.46
    diisobutyl methanol 78.68
    2-phenylethanol 224.19
    styrene 190.58
    dioctyl adipate 143.95
    dimethyl sulfate 245.98
    ethyl butyrate 157.76
    methyl lactate 157.89
    butyl lactate 159.46
    diethyl carbonate 130.14
    propanediol butyl ether 144.62
    triethyl orthoformate 127.8
    p-tert-butyltoluene 125.03
    methyl 4-tert-butylbenzoate 232.23
    morpholine 397.44
    tert-butylamine 99.78
    n-dodecanol 66.23
    dimethoxymethane 309.57
    ethylene carbonate 351.52
    cyrene 201.01
    2-ethoxyethyl acetate 221.11
    2-ethylhexyl acetate 184.73
    1,2,4-trichlorobenzene 418.6
    4-methylpyridine 481.03
    dibutyl ether 93.91
    2,6-dimethyl-4-heptanol 78.68
    DEF 237.22
    dimethyl isosorbide 288.66
    tetrachloroethylene 374.72
    eugenol 205.01
    triacetin 220.7
    span 80 149.94
    1,4-butanediol 74.16
    1,1-dichloroethane 397.61
    2-methyl-1-pentanol 97.11
    methyl formate 192.87
    2-methyl-1-butanol 127.98
    n-decane 27.52
    butyronitrile 215.13
    3,7-dimethyl-1-octanol 105.96
    1-chlorooctane 94.7
    1-chlorotetradecane 46.05
    n-nonane 24.4
    undecane 21.05
    tert-butylcyclohexane 34.31
    cyclooctane 32.94
    cyclopentanol 254.11
    tetrahydropyran 393.28
    tert-amyl methyl ether 125.31
    2,5,8-trioxanonane 211.9
    1-hexene 64.57
    2-isopropoxyethanol 126.98
    2,2,2-trifluoroethanol 99.82
    methyl butyrate 207.86

    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