1,3-Dioxane, 2-(2,4-dimethyl-3-cyclohexen-1-yl)-5-methyl-5-(1-methylpropyl)-

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  • Identifiers

    CAS number
    117933-89-8

    Molecular formula
    C17H30O2

    SMILES
    CCC(C)C1(COC(OC1)C2CCC(=CC2C)C)C

    Safety labels

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 62.53%
    Woody 61.87%
    Herbal 57.16%
    Green 49.05%
    Spicy 47.67%
    Fresh 37.67%
    Earthy 32.68%
    Amber 31.26%
    Dry 30.83%
    Natural 30.5%

     

    Flavor
    Green 61.35%
    Herbal 51.24%
    Woody 38.06%
    Spice 37.95%
    Spicy 37.33%
    Earthy 35.71%
    Herb 32.81%
    Wood 31.91%
    Minty 30.82%
    Earth 27.96%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    7.96 (neutral)

    Molecular weight
    266.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    325°C

    Flash point

    • 124.15 ˚C est.

  • Synonyms

    • 117933-89-8
    • 5-(sec-butyl)-2-(2,4-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-dioxane
    • 2-(2,4-dimethyl-3-cyclohexen-1-yl)-5-methyl-5-(1-methylpropyl)-1,3-dioxane
    • 1,3-Dioxane, 2-(2,4-dimethyl-3-cyclohexen-1-yl)-5-methyl-5-(1-methylpropyl)-
    • 2-(2,4-DIMETHYLCYCLOHEX-3-ENE-1-YL)-5-METHYL-5-(1-METHYLPROPYL)-1,3-DIOXANE
    • 5-butan-2-yl-2-(2,4-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-dioxane
    • Karanal
    • Amber Dioxane
    • SCHEMBL112853
    • DTXSID3051595
    • DTXSID201029495
    • BCP18943
    • SEA93389
    • MFCD01860851
    • CS-0162936
    • NS00019545
    • D83587
    • 5-(butan-2-yl)-2-(2,4-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-dioxane
    • 5-s-butyl-2-(2,4-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-dioxane
    • 5-sec-butyl-2-(2,4-dimethyl-cyclohex-3-enyl)-5-methyl-[1,3]dioxane
    • 2-(2,4-DIMETHYLCYCLOHEX-3-EN-1-YL)-5-METHYL-5-(SEC-BUTYL)-1,3-DIOXANE
    • 186309-28-4
    • 601-499-3

  • Applications

    1,3-Dioxane, 2-(2,4-dimethyl-3-cyclohexen-1-yl)-5-methyl-5-(1-methylpropyl)- is commonly used as an odorant and fragrance fixative in perfumery formulations, providing or stabilizing scent in fragrances and personal care products. It may also find use in household and cleaning products as a fragrance additive, contributing to scent profiles. In specialty chemical manufacturing, it can serve as a processing intermediate or processing aid; in coatings and inks, it is occasionally employed as a fragrance additive or odor-moderating component to enhance consumer perception. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 802.14
    methanol 372.62
    isopropanol 724.12
    water 0.93
    ethyl acetate 1856.23
    n-propanol 642.62
    acetone 1101.19
    n-butanol 889.65
    acetonitrile 754.51
    DMF 520.15
    toluene 1428.11
    isobutanol 603.71
    1,4-dioxane 2146.94
    methyl acetate 955.29
    THF 2016.04
    2-butanone 989.51
    n-pentanol 453.82
    sec-butanol 583.24
    n-hexane 271.09
    ethylene glycol 34.65
    NMP 445.16
    cyclohexane 777.54
    DMSO 385.64
    n-butyl acetate 1497.42
    n-octanol 470.0
    chloroform 3616.05
    n-propyl acetate 900.43
    acetic acid 842.86
    dichloromethane 2760.96
    cyclohexanone 1607.5
    propylene glycol 74.41
    isopropyl acetate 1545.57
    DMAc 607.59
    2-ethoxyethanol 606.96
    isopentanol 1023.67
    n-heptane 214.1
    ethyl formate 560.49
    1,2-dichloroethane 1848.03
    n-hexanol 891.89
    2-methoxyethanol 800.77
    isobutyl acetate 755.53
    tetrachloromethane 793.17
    n-pentyl acetate 902.5
    transcutol 3700.17
    n-heptanol 495.24
    ethylbenzene 602.51
    MIBK 966.39
    2-propoxyethanol 1041.44
    tert-butanol 1008.04
    MTBE 1800.58
    2-butoxyethanol 783.21
    propionic acid 423.57
    o-xylene 839.96
    formic acid 134.57
    diethyl ether 2159.05
    m-xylene 1051.62
    p-xylene 779.31
    chlorobenzene 1256.51
    dimethyl carbonate 337.39
    n-octane 99.1
    formamide 203.5
    cyclopentanone 1059.6
    2-pentanone 1159.9
    anisole 797.12
    cyclopentyl methyl ether 1301.78
    gamma-butyrolactone 992.96
    1-methoxy-2-propanol 767.96
    pyridine 1270.47
    3-pentanone 905.68
    furfural 880.15
    n-dodecane 70.38
    diethylene glycol 410.31
    diisopropyl ether 965.61
    tert-amyl alcohol 792.16
    acetylacetone 1305.26
    n-hexadecane 84.85
    acetophenone 643.5
    methyl propionate 831.09
    isopentyl acetate 1653.17
    trichloroethylene 3053.39
    n-nonanol 442.49
    cyclohexanol 991.69
    benzyl alcohol 456.2
    2-ethylhexanol 662.23
    isooctanol 487.44
    dipropyl ether 891.85
    1,2-dichlorobenzene 1073.65
    ethyl lactate 255.58
    propylene carbonate 745.83
    n-methylformamide 258.55
    2-pentanol 772.1
    n-pentane 363.74
    1-propoxy-2-propanol 857.85
    1-methoxy-2-propyl acetate 1202.64
    2-(2-methoxypropoxy) propanol 692.66
    mesitylene 746.6
    ε-caprolactone 1361.33
    p-cymene 468.58
    epichlorohydrin 1670.95
    1,1,1-trichloroethane 2372.73
    2-aminoethanol 138.44
    morpholine-4-carbaldehyde 891.27
    sulfolane 737.87
    2,2,4-trimethylpentane 194.78
    2-methyltetrahydrofuran 1671.73
    n-hexyl acetate 1146.48
    isooctane 197.43
    2-(2-butoxyethoxy)ethanol 1052.95
    sec-butyl acetate 850.97
    tert-butyl acetate 1494.4
    decalin 291.79
    glycerin 121.39
    diglyme 1922.58
    acrylic acid 293.28
    isopropyl myristate 457.86
    n-butyric acid 1212.05
    acetyl acetate 1333.35
    di(2-ethylhexyl) phthalate 336.15
    ethyl propionate 817.27
    nitromethane 1018.64
    1,2-diethoxyethane 1878.04
    benzonitrile 728.5
    trioctyl phosphate 251.17
    1-bromopropane 1478.6
    gamma-valerolactone 1467.65
    n-decanol 317.1
    triethyl phosphate 366.28
    4-methyl-2-pentanol 594.23
    propionitrile 641.56
    vinylene carbonate 721.62
    1,1,2-trichlorotrifluoroethane 739.34
    DMS 715.05
    cumene 456.86
    2-octanol 364.76
    2-hexanone 728.7
    octyl acetate 537.17
    limonene 646.53
    1,2-dimethoxyethane 1256.34
    ethyl orthosilicate 420.98
    tributyl phosphate 331.09
    diacetone alcohol 835.09
    N,N-dimethylaniline 494.39
    acrylonitrile 510.08
    aniline 854.52
    1,3-propanediol 430.52
    bromobenzene 1538.07
    dibromomethane 2095.76
    1,1,2,2-tetrachloroethane 2397.0
    2-methyl-cyclohexyl acetate 683.13
    tetrabutyl urea 338.12
    diisobutyl methanol 456.61
    2-phenylethanol 692.84
    styrene 669.18
    dioctyl adipate 523.8
    dimethyl sulfate 323.55
    ethyl butyrate 994.5
    methyl lactate 243.19
    butyl lactate 499.35
    diethyl carbonate 640.47
    propanediol butyl ether 480.97
    triethyl orthoformate 715.74
    p-tert-butyltoluene 470.97
    methyl 4-tert-butylbenzoate 693.72
    morpholine 1841.45
    tert-butylamine 819.33
    n-dodecanol 242.77
    dimethoxymethane 878.27
    ethylene carbonate 722.19
    cyrene 354.45
    2-ethoxyethyl acetate 1219.01
    2-ethylhexyl acetate 1251.83
    1,2,4-trichlorobenzene 1056.54
    4-methylpyridine 1419.62
    dibutyl ether 884.41
    2,6-dimethyl-4-heptanol 456.61
    DEF 959.12
    dimethyl isosorbide 973.73
    tetrachloroethylene 1655.16
    eugenol 529.91
    triacetin 844.13
    span 80 557.2
    1,4-butanediol 125.2
    1,1-dichloroethane 2105.67
    2-methyl-1-pentanol 551.49
    methyl formate 238.29
    2-methyl-1-butanol 838.26
    n-decane 132.99
    butyronitrile 956.14
    3,7-dimethyl-1-octanol 583.5
    1-chlorooctane 465.87
    1-chlorotetradecane 178.95
    n-nonane 129.05
    undecane 92.34
    tert-butylcyclohexane 234.19
    cyclooctane 324.19
    cyclopentanol 540.23
    tetrahydropyran 2312.85
    tert-amyl methyl ether 1107.29
    2,5,8-trioxanonane 1079.2
    1-hexene 535.85
    2-isopropoxyethanol 559.42
    2,2,2-trifluoroethanol 272.07
    methyl butyrate 904.31

    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