1,3-Dioxolane, 2-(2,6-dimethyl-5-heptenyl)-

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  • Identifiers

    CAS number
    66512-92-3

    Molecular formula
    C12H22O2

    SMILES
    CC(CCC=C(C)C)CC1OCCO1

  • Odor profile

    Fragrance
    Floral 82.67%
    Green 76.5%
    Citrus 58.87%
    Herbal 53.91%
    Fresh 52.89%
    Sweet 49.4%
    Rose 46.19%
    Lemon 45.38%
    Muguet 42.47%
    Lily 42.04%

     

    Flavor
    Green 56.3%
    Floral 47.97%
    Herbal 41.63%
    Fresh 36.74%
    Waxy 35.52%
    Tropical 30.04%
    Flower 29.18%
    Oily 28.84%
    Fruity 25.81%
    Spice 24.69%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.36 (weak base)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    245°C

    Flash point

    • 82.16 ˚C est.

  • Synonyms

    • 66512-92-3
    • 2-(2,6-Dimethylhept-5-enyl)-1,3-dioxolane
    • 1,3-Dioxolane, 2-(2,6-dimethyl-5-heptenyl)-
    • EINECS 266-387-5
    • SCHEMBL6251037
    • 2-(2,6-DIMETHYLHEPT-5-EN-1-YL)-1,3-DIOXOLANE
    • DTXSID30985134
    • KCHXLUDCEMDEFL-UHFFFAOYSA-N
    • NS00053040

  • Applications

    1,3-Dioxolane, 2-(2,6-dimethyl-5-heptenyl)- is commonly evaluated as a fragrance ingredient and can function as a fragrance fixative in perfumery and formulations. In cosmetics and personal care, it may be used as a fragrance component. In household products such as cleaners and air fresheners, it can contribute a scent. For flavor/aroma applications, it may be evaluated for use as an aroma compound in certain formulations, subject to regulatory limits. In industrial manufacturing, it can serve as an intermediate in fragrance synthesis or as a solvent/processing aid in fragrance formulation, with use governed by local regulations and formulation restrictions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1630.07
    methanol 1215.28
    isopropanol 1593.02
    water 1.58
    ethyl acetate 974.99
    n-propanol 1322.6
    acetone 873.53
    n-butanol 1296.02
    acetonitrile 817.83
    DMF 434.16
    toluene 555.73
    isobutanol 964.91
    1,4-dioxane 1910.51
    methyl acetate 707.58
    THF 1792.4
    2-butanone 729.43
    n-pentanol 939.82
    sec-butanol 1243.65
    n-hexane 267.46
    ethylene glycol 223.24
    NMP 386.52
    cyclohexane 539.88
    DMSO 663.14
    n-butyl acetate 689.22
    n-octanol 556.68
    chloroform 3417.13
    n-propyl acetate 535.13
    acetic acid 925.44
    dichloromethane 2129.08
    cyclohexanone 955.98
    propylene glycol 586.84
    isopropyl acetate 616.07
    DMAc 493.74
    2-ethoxyethanol 944.32
    isopentanol 1039.77
    n-heptane 220.19
    ethyl formate 461.23
    1,2-dichloroethane 943.48
    n-hexanol 1141.76
    2-methoxyethanol 1161.36
    isobutyl acetate 406.55
    tetrachloromethane 522.01
    n-pentyl acetate 436.39
    transcutol 2582.57
    n-heptanol 450.53
    ethylbenzene 281.04
    MIBK 445.25
    2-propoxyethanol 1214.24
    tert-butanol 1716.35
    MTBE 1164.05
    2-butoxyethanol 664.46
    propionic acid 685.32
    o-xylene 331.67
    formic acid 193.24
    diethyl ether 1175.77
    m-xylene 372.85
    p-xylene 381.52
    chlorobenzene 563.75
    dimethyl carbonate 164.99
    n-octane 82.06
    formamide 208.32
    cyclopentanone 744.02
    2-pentanone 647.19
    anisole 489.23
    cyclopentyl methyl ether 844.42
    gamma-butyrolactone 744.0
    1-methoxy-2-propanol 1055.0
    pyridine 977.51
    3-pentanone 448.98
    furfural 675.97
    n-dodecane 72.52
    diethylene glycol 686.82
    diisopropyl ether 376.32
    tert-amyl alcohol 1136.38
    acetylacetone 572.84
    n-hexadecane 81.55
    acetophenone 397.33
    methyl propionate 499.36
    isopentyl acetate 637.43
    trichloroethylene 1593.33
    n-nonanol 475.61
    cyclohexanol 1147.74
    benzyl alcohol 466.29
    2-ethylhexanol 581.51
    isooctanol 358.08
    dipropyl ether 668.35
    1,2-dichlorobenzene 481.9
    ethyl lactate 289.86
    propylene carbonate 544.22
    n-methylformamide 268.42
    2-pentanol 975.99
    n-pentane 283.34
    1-propoxy-2-propanol 905.62
    1-methoxy-2-propyl acetate 622.24
    2-(2-methoxypropoxy) propanol 584.0
    mesitylene 252.33
    ε-caprolactone 871.67
    p-cymene 222.13
    epichlorohydrin 1041.89
    1,1,1-trichloroethane 1251.72
    2-aminoethanol 582.74
    morpholine-4-carbaldehyde 676.62
    sulfolane 648.41
    2,2,4-trimethylpentane 119.72
    2-methyltetrahydrofuran 1397.61
    n-hexyl acetate 694.91
    isooctane 97.86
    2-(2-butoxyethoxy)ethanol 873.51
    sec-butyl acetate 400.89
    tert-butyl acetate 584.39
    decalin 152.02
    glycerin 516.27
    diglyme 1327.17
    acrylic acid 434.42
    isopropyl myristate 286.26
    n-butyric acid 1163.67
    acetyl acetate 563.6
    di(2-ethylhexyl) phthalate 238.38
    ethyl propionate 425.32
    nitromethane 724.9
    1,2-diethoxyethane 865.98
    benzonitrile 550.92
    trioctyl phosphate 188.46
    1-bromopropane 911.02
    gamma-valerolactone 932.14
    n-decanol 346.58
    triethyl phosphate 208.77
    4-methyl-2-pentanol 465.78
    propionitrile 743.95
    vinylene carbonate 502.71
    1,1,2-trichlorotrifluoroethane 880.41
    DMS 384.0
    cumene 204.73
    2-octanol 336.73
    2-hexanone 495.8
    octyl acetate 359.3
    limonene 356.64
    1,2-dimethoxyethane 1094.84
    ethyl orthosilicate 224.71
    tributyl phosphate 222.79
    diacetone alcohol 569.12
    N,N-dimethylaniline 306.27
    acrylonitrile 575.75
    aniline 621.08
    1,3-propanediol 811.73
    bromobenzene 620.74
    dibromomethane 1598.44
    1,1,2,2-tetrachloroethane 1541.46
    2-methyl-cyclohexyl acetate 397.72
    tetrabutyl urea 248.78
    diisobutyl methanol 300.75
    2-phenylethanol 481.31
    styrene 344.74
    dioctyl adipate 359.4
    dimethyl sulfate 191.74
    ethyl butyrate 483.91
    methyl lactate 299.39
    butyl lactate 351.27
    diethyl carbonate 319.83
    propanediol butyl ether 699.41
    triethyl orthoformate 372.42
    p-tert-butyltoluene 223.5
    methyl 4-tert-butylbenzoate 396.54
    morpholine 1983.78
    tert-butylamine 1203.35
    n-dodecanol 261.59
    dimethoxymethane 533.05
    ethylene carbonate 486.75
    cyrene 367.55
    2-ethoxyethyl acetate 529.87
    2-ethylhexyl acetate 492.41
    1,2,4-trichlorobenzene 553.87
    4-methylpyridine 882.86
    dibutyl ether 608.47
    2,6-dimethyl-4-heptanol 300.75
    DEF 505.19
    dimethyl isosorbide 676.16
    tetrachloroethylene 951.28
    eugenol 375.97
    triacetin 621.59
    span 80 593.56
    1,4-butanediol 402.07
    1,1-dichloroethane 1339.05
    2-methyl-1-pentanol 654.69
    methyl formate 199.38
    2-methyl-1-butanol 869.17
    n-decane 126.79
    butyronitrile 963.15
    3,7-dimethyl-1-octanol 478.15
    1-chlorooctane 347.48
    1-chlorotetradecane 148.09
    n-nonane 129.16
    undecane 90.68
    tert-butylcyclohexane 143.81
    cyclooctane 162.72
    cyclopentanol 891.1
    tetrahydropyran 2134.96
    tert-amyl methyl ether 660.36
    2,5,8-trioxanonane 862.89
    1-hexene 621.24
    2-isopropoxyethanol 691.32
    2,2,2-trifluoroethanol 238.0
    methyl butyrate 515.07

    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