1,3-Dioxolane, 2,4-dimethyl-2-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)-

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  • Identifiers

    CAS number
    131812-48-1

    Molecular formula
    C21H32O2

    SMILES
    CC1CC(C2=C(C1(C)C)C=C(C(=C2)C3(OCC(O3)C)C)C)(C)C

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Musk 63.43%
    Sweet 54.27%
    Woody 50.78%
    Fruity 49.6%
    Powdery 47.11%
    Amber 46.08%
    Dry 39.04%
    Floral 36.52%
    Animal 27.71%
    Berry 27.65%

     

    Flavor
    Woody 56.82%
    Camphor 47.91%
    Earthy 44.4%
    Herbal 37.9%
    Earth 35.75%
    Musty 35.56%
    Green 30.81%
    Pine 29.63%
    Spice 27.63%
    Spicy 26.92%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    6.46 (neutral)

    Molecular weight
    316.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    362°C

    Flash point

    • 129.08 ˚C est.

  • Synonyms

    • 131812-48-1
    • 1,3-Dioxolane, 2,4-dimethyl-2-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)-
    • DTXSID90869805
    • 2,4-dimethyl-2-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)-1,3-dioxolane
    • RefChem:414866
    • DTXCID90817720
    • SCHEMBL9498155
    • OKMNDOGDSXEHMU-UHFFFAOYSA-N
    • 2-(3,5,5,6,8,8-Hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxolane
    • 131812-48-1

  • Applications

    1,3-Dioxolane, 2,4-dimethyl-2-(5,6,7,8-tetrahydro-3,5,5,6,8,8-hexamethyl-2-naphthalenyl)- is primarily considered in fragrance chemistry, where it may be used as an odorant and fixative to extend scent life; it is also evaluated for cosmetics/personal care formulations as a fragrance ingredient in products such as lotions, shampoos, and soaps; in household products, it can serve as a perfumed additive in detergents and air fresheners; in industrial manufacturing, it may function as an intermediate in the synthesis of more complex fragrance compounds; in coatings and inks as well as plastics, it can appear as a specialty fragrance-release additive or aromatic modifier; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 181.91
    methanol 97.69
    isopropanol 203.22
    water 0.46
    ethyl acetate 837.65
    n-propanol 283.74
    acetone 718.46
    n-butanol 283.99
    acetonitrile 356.64
    DMF 1075.47
    toluene 1167.39
    isobutanol 291.61
    1,4-dioxane 1331.0
    methyl acetate 747.52
    THF 1917.97
    2-butanone 817.43
    n-pentanol 245.46
    sec-butanol 257.9
    n-hexane 170.37
    ethylene glycol 27.41
    NMP 1369.52
    cyclohexane 277.99
    DMSO 366.96
    n-butyl acetate 781.34
    n-octanol 263.43
    chloroform 2612.56
    n-propyl acetate 604.74
    acetic acid 213.56
    dichloromethane 2066.81
    cyclohexanone 1487.43
    propylene glycol 63.01
    isopropyl acetate 745.15
    DMAc 1274.2
    2-ethoxyethanol 333.8
    isopentanol 312.63
    n-heptane 101.33
    ethyl formate 334.91
    1,2-dichloroethane 1304.87
    n-hexanol 404.27
    2-methoxyethanol 357.19
    isobutyl acetate 567.45
    tetrachloromethane 438.89
    n-pentyl acetate 646.6
    transcutol 1091.32
    n-heptanol 246.02
    ethylbenzene 563.13
    MIBK 588.13
    2-propoxyethanol 651.74
    tert-butanol 289.95
    MTBE 761.17
    2-butoxyethanol 422.98
    propionic acid 290.04
    o-xylene 641.36
    formic acid 49.55
    diethyl ether 847.28
    m-xylene 761.24
    p-xylene 744.27
    chlorobenzene 1134.15
    dimethyl carbonate 551.16
    n-octane 50.12
    formamide 98.45
    cyclopentanone 1521.11
    2-pentanone 771.32
    anisole 801.32
    cyclopentyl methyl ether 1329.9
    gamma-butyrolactone 1482.33
    1-methoxy-2-propanol 406.15
    pyridine 1227.78
    3-pentanone 830.3
    furfural 1080.06
    n-dodecane 33.81
    diethylene glycol 288.78
    diisopropyl ether 405.35
    tert-amyl alcohol 294.21
    acetylacetone 944.93
    n-hexadecane 42.62
    acetophenone 733.18
    methyl propionate 825.28
    isopentyl acetate 819.45
    trichloroethylene 2460.01
    n-nonanol 252.74
    cyclohexanol 487.52
    benzyl alcohol 440.81
    2-ethylhexanol 336.25
    isooctanol 237.26
    dipropyl ether 518.69
    1,2-dichlorobenzene 1095.19
    ethyl lactate 270.73
    propylene carbonate 915.69
    n-methylformamide 313.99
    2-pentanol 265.33
    n-pentane 136.28
    1-propoxy-2-propanol 507.53
    1-methoxy-2-propyl acetate 880.72
    2-(2-methoxypropoxy) propanol 416.16
    mesitylene 456.06
    ε-caprolactone 1289.02
    p-cymene 311.87
    epichlorohydrin 1699.67
    1,1,1-trichloroethane 1435.19
    2-aminoethanol 82.06
    morpholine-4-carbaldehyde 1456.7
    sulfolane 1368.66
    2,2,4-trimethylpentane 89.79
    2-methyltetrahydrofuran 1484.65
    n-hexyl acetate 836.45
    isooctane 67.15
    2-(2-butoxyethoxy)ethanol 494.99
    sec-butyl acetate 555.33
    tert-butyl acetate 800.03
    decalin 155.89
    glycerin 85.05
    diglyme 1026.71
    acrylic acid 245.18
    isopropyl myristate 329.44
    n-butyric acid 416.51
    acetyl acetate 681.31
    di(2-ethylhexyl) phthalate 288.24
    ethyl propionate 623.58
    nitromethane 591.12
    1,2-diethoxyethane 685.51
    benzonitrile 672.1
    trioctyl phosphate 214.59
    1-bromopropane 863.96
    gamma-valerolactone 1755.94
    n-decanol 179.48
    triethyl phosphate 331.57
    4-methyl-2-pentanol 212.3
    propionitrile 419.85
    vinylene carbonate 929.39
    1,1,2-trichlorotrifluoroethane 831.58
    DMS 910.07
    cumene 365.9
    2-octanol 209.05
    2-hexanone 570.15
    octyl acetate 404.8
    limonene 399.19
    1,2-dimethoxyethane 801.22
    ethyl orthosilicate 323.71
    tributyl phosphate 257.24
    diacetone alcohol 504.23
    N,N-dimethylaniline 588.72
    acrylonitrile 450.98
    aniline 677.86
    1,3-propanediol 138.24
    bromobenzene 1391.49
    dibromomethane 1366.95
    1,1,2,2-tetrachloroethane 2036.9
    2-methyl-cyclohexyl acetate 564.47
    tetrabutyl urea 333.49
    diisobutyl methanol 195.87
    2-phenylethanol 542.37
    styrene 616.27
    dioctyl adipate 428.94
    dimethyl sulfate 685.52
    ethyl butyrate 569.22
    methyl lactate 307.08
    butyl lactate 397.8
    diethyl carbonate 425.06
    propanediol butyl ether 326.77
    triethyl orthoformate 479.33
    p-tert-butyltoluene 310.53
    methyl 4-tert-butylbenzoate 636.96
    morpholine 1287.19
    tert-butylamine 247.55
    n-dodecanol 135.29
    dimethoxymethane 957.82
    ethylene carbonate 862.88
    cyrene 517.64
    2-ethoxyethyl acetate 842.58
    2-ethylhexyl acetate 769.51
    1,2,4-trichlorobenzene 1218.14
    4-methylpyridine 1415.92
    dibutyl ether 440.53
    2,6-dimethyl-4-heptanol 195.87
    DEF 928.85
    dimethyl isosorbide 914.78
    tetrachloroethylene 1213.48
    eugenol 507.94
    triacetin 762.01
    span 80 397.4
    1,4-butanediol 87.0
    1,1-dichloroethane 1248.05
    2-methyl-1-pentanol 278.88
    methyl formate 296.34
    2-methyl-1-butanol 321.7
    n-decane 72.45
    butyronitrile 415.74
    3,7-dimethyl-1-octanol 277.21
    1-chlorooctane 309.43
    1-chlorotetradecane 117.76
    n-nonane 68.41
    undecane 47.06
    tert-butylcyclohexane 131.01
    cyclooctane 124.07
    cyclopentanol 464.8
    tetrahydropyran 1439.66
    tert-amyl methyl ether 631.3
    2,5,8-trioxanonane 633.92
    1-hexene 386.3
    2-isopropoxyethanol 340.84
    2,2,2-trifluoroethanol 162.97
    methyl butyrate 698.5

    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