1,3-Dioxolane, 2-(1-ethylpentyl)-

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  • Identifiers

    CAS number
    4359-47-1

    Molecular formula
    C10H20O2

    SMILES
    CCCCC(CC)C1OCCO1

  • Odor profile

    Fragrance
    Green 86.15%
    Fruity 72.67%
    Fatty 41.8%
    Fresh 39.35%
    Herbal 33.83%
    Oily 33.78%
    Sweet 30.63%
    Floral 27.98%
    Citrus 27.84%
    Metallic 26.94%

     

    Flavor
    Green 56.78%
    Fatty 35.25%
    Oily 33.23%
    Herbal 32.28%
    Tropical 31.75%
    Waxy 31.44%
    Metallic 31.19%
    Fruity 30.58%
    Fresh 27.99%
    Earthy 27.96%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.31 (neutral)

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    210°C

    Flash point

    • 73.04 ˚C est.

  • Synonyms

    • 1,3-Dioxolane, 2-(1-ethylpentyl)-
    • 4359-47-1
    • 2-(1-Ethylpentyl)-1,3-dioxolane
    • 2-heptan-3-yl-1,3-dioxolane
    • 2-(3-Heptyl)-1,3-dioxolane
    • 2-Ethylhexanal ethyleneglycol cyclic acetal
    • EINECS 224-436-8
    • 2-ETHYL HEXANAL:CYCLOGLYCOL ACETAL
    • DTXSID80863377
    • 2-(heptan-3-yl)-1,3-dioxolane
    • SCHEMBL1472438
    • DTXCID60812005
    • LQSZQAHPRJMRET-UHFFFAOYSA-N
    • AKOS006273300
    • DB-391255
    • 2-ETHYLHEXANAL ETHYLENE GLYCOL ACETAL
    • NS00012449
    • 224-436-8
    • Syvertal

  • Applications

    1,3-Dioxolane, 2-(1-ethylpentyl)-, CAS 4359-47-1 is used primarily as a specialty solvent in industrial formulations and as an organic synthesis intermediate; it is also evaluated as a fragrance ingredient or odorant/fixative in perfumery, and may serve as a solvent or processing aid in cosmetics and personal care products, coatings and inks, and household cleaning formulations; in polymer/plastics processing it can act as a reactive intermediate or precursor for protective acetal chemistries.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7030.38
    methanol 5747.1
    isopropanol 6635.55
    water 1.45
    ethyl acetate 4956.5
    n-propanol 5825.7
    acetone 5611.11
    n-butanol 5375.38
    acetonitrile 5374.59
    DMF 2788.11
    toluene 1810.77
    isobutanol 4900.46
    1,4-dioxane 5741.92
    methyl acetate 3240.28
    THF 7039.28
    2-butanone 3735.72
    n-pentanol 3519.29
    sec-butanol 4984.58
    n-hexane 1045.85
    ethylene glycol 751.11
    NMP 2208.67
    cyclohexane 1998.25
    DMSO 3415.64
    n-butyl acetate 4751.05
    n-octanol 1600.74
    chloroform 14707.35
    n-propyl acetate 3185.27
    acetic acid 4771.53
    dichloromethane 12216.88
    cyclohexanone 5996.19
    propylene glycol 1227.86
    isopropyl acetate 3419.35
    DMAc 1652.77
    2-ethoxyethanol 3015.62
    isopentanol 4525.63
    n-heptane 724.46
    ethyl formate 3185.51
    1,2-dichloroethane 5859.68
    n-hexanol 4031.48
    2-methoxyethanol 4293.06
    isobutyl acetate 1884.58
    tetrachloromethane 2692.78
    n-pentyl acetate 2487.82
    transcutol 5536.55
    n-heptanol 1467.49
    ethylbenzene 922.71
    MIBK 2153.78
    2-propoxyethanol 3776.78
    tert-butanol 6240.12
    MTBE 4949.89
    2-butoxyethanol 1953.32
    propionic acid 3403.38
    o-xylene 943.45
    formic acid 907.7
    diethyl ether 5338.53
    m-xylene 1128.26
    p-xylene 1274.83
    chlorobenzene 3172.4
    dimethyl carbonate 767.78
    n-octane 284.71
    formamide 1046.31
    cyclopentanone 4646.66
    2-pentanone 3753.07
    anisole 1614.57
    cyclopentyl methyl ether 3557.24
    gamma-butyrolactone 4850.26
    1-methoxy-2-propanol 3327.55
    pyridine 4924.53
    3-pentanone 2123.8
    furfural 3517.75
    n-dodecane 192.13
    diethylene glycol 1909.47
    diisopropyl ether 1560.39
    tert-amyl alcohol 4100.49
    acetylacetone 2893.93
    n-hexadecane 224.44
    acetophenone 1407.23
    methyl propionate 2438.14
    isopentyl acetate 3420.99
    trichloroethylene 9942.88
    n-nonanol 1259.91
    cyclohexanol 4547.43
    benzyl alcohol 1579.89
    2-ethylhexanol 2131.73
    isooctanol 1193.85
    dipropyl ether 2697.71
    1,2-dichlorobenzene 2427.28
    ethyl lactate 911.12
    propylene carbonate 3349.49
    n-methylformamide 2009.85
    2-pentanol 3853.11
    n-pentane 1072.26
    1-propoxy-2-propanol 2921.08
    1-methoxy-2-propyl acetate 2208.18
    2-(2-methoxypropoxy) propanol 1139.57
    mesitylene 786.27
    ε-caprolactone 4936.05
    p-cymene 743.72
    epichlorohydrin 5885.34
    1,1,1-trichloroethane 6934.87
    2-aminoethanol 1727.96
    morpholine-4-carbaldehyde 2613.98
    sulfolane 4038.34
    2,2,4-trimethylpentane 409.45
    2-methyltetrahydrofuran 5885.09
    n-hexyl acetate 2867.7
    isooctane 358.34
    2-(2-butoxyethoxy)ethanol 1699.75
    sec-butyl acetate 1971.36
    tert-butyl acetate 2564.75
    decalin 514.02
    glycerin 1187.03
    diglyme 3328.6
    acrylic acid 2254.3
    isopropyl myristate 909.7
    n-butyric acid 6419.5
    acetyl acetate 2746.24
    di(2-ethylhexyl) phthalate 675.46
    ethyl propionate 2117.26
    nitromethane 4595.39
    1,2-diethoxyethane 2899.33
    benzonitrile 2827.76
    trioctyl phosphate 570.09
    1-bromopropane 5290.69
    gamma-valerolactone 4821.71
    n-decanol 830.37
    triethyl phosphate 693.53
    4-methyl-2-pentanol 1793.68
    propionitrile 4684.05
    vinylene carbonate 2841.06
    1,1,2-trichlorotrifluoroethane 3633.72
    DMS 1234.27
    cumene 637.58
    2-octanol 1129.94
    2-hexanone 2735.97
    octyl acetate 1085.49
    limonene 1292.52
    1,2-dimethoxyethane 4607.24
    ethyl orthosilicate 727.19
    tributyl phosphate 726.02
    diacetone alcohol 1963.29
    N,N-dimethylaniline 919.26
    acrylonitrile 4013.36
    aniline 2165.6
    1,3-propanediol 2842.88
    bromobenzene 3623.69
    dibromomethane 8936.39
    1,1,2,2-tetrachloroethane 7568.39
    2-methyl-cyclohexyl acetate 1395.76
    tetrabutyl urea 803.29
    diisobutyl methanol 1075.18
    2-phenylethanol 1600.03
    styrene 1320.22
    dioctyl adipate 1069.9
    dimethyl sulfate 932.25
    ethyl butyrate 2466.94
    methyl lactate 969.95
    butyl lactate 1280.71
    diethyl carbonate 1351.75
    propanediol butyl ether 1612.78
    triethyl orthoformate 1444.32
    p-tert-butyltoluene 686.59
    methyl 4-tert-butylbenzoate 1134.26
    morpholine 6635.46
    tert-butylamine 4236.38
    n-dodecanol 598.63
    dimethoxymethane 2306.9
    ethylene carbonate 2888.36
    cyrene 888.51
    2-ethoxyethyl acetate 2146.55
    2-ethylhexyl acetate 2466.49
    1,2,4-trichlorobenzene 2635.37
    4-methylpyridine 4375.66
    dibutyl ether 2267.91
    2,6-dimethyl-4-heptanol 1075.18
    DEF 3062.25
    dimethyl isosorbide 1719.13
    tetrachloroethylene 5266.79
    eugenol 1013.9
    triacetin 1519.55
    span 80 1256.95
    1,4-butanediol 1249.0
    1,1-dichloroethane 8428.67
    2-methyl-1-pentanol 2785.65
    methyl formate 1585.97
    2-methyl-1-butanol 3921.31
    n-decane 372.98
    butyronitrile 6113.42
    3,7-dimethyl-1-octanol 1454.75
    1-chlorooctane 1251.53
    1-chlorotetradecane 433.68
    n-nonane 416.34
    undecane 250.22
    tert-butylcyclohexane 469.72
    cyclooctane 532.51
    cyclopentanol 4112.94
    tetrahydropyran 7713.61
    tert-amyl methyl ether 2453.48
    2,5,8-trioxanonane 1735.11
    1-hexene 2751.5
    2-isopropoxyethanol 2187.82
    2,2,2-trifluoroethanol 1108.49
    methyl butyrate 3270.99

    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