1,3-Dioxolane, 2-heptyl-

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  • Identifiers

    CAS number
    4359-57-3

    Molecular formula
    C10H20O2

    SMILES
    CCCCCCCC1OCCO1

  • Odor profile

    Fragrance
    Green 74.02%
    Citrus 66.11%
    Fatty 66.09%
    Fresh 62.93%
    Fruity 60.26%
    Floral 54.74%
    Waxy 45.9%
    Herbal 45.65%
    Orange 45.18%
    Sweet 44.96%

     

    Flavor
    Fatty 53.66%
    Waxy 48.92%
    Fruity 48.55%
    Sweet 44.32%
    Green 44.1%
    Creamy 42.8%
    Oily 42.08%
    Coconut 39.63%
    Peach 36.87%
    Mushroom 33.79%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.27 (neutral)

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    222°C

    Flash point

    • 82.55 ˚C est.

  • Synonyms

    • 2-Heptyl-1,3-dioxolane
    • 1,3-Dioxolane, 2-heptyl-
    • 4359-57-3
    • Octanal glycolacetal
    • EINECS 224-438-9
    • DTXSID7063429
    • MFCD00216992
    • 2-heptyl-[1,3]dioxolane
    • 2-Heptyl-1,3-dioxolane #
    • SCHEMBL1879937
    • DTXCID8040274
    • n-Octanal Ethylene Glycol Acetal
    • octanal ethyleneglycol cyclic acetal
    • AKOS006271909
    • AS-76730
    • H1715
    • NS00013085
    • D95406
    • 224-438-9

  • Applications

    1,3-Dioxolane, 2-heptyl- (CAS 4359-57-3) is used primarily as an intermediate in organic synthesis, where it can function as a protecting group for carbonyl compounds and enable selective transformations; it is also encountered as a fragrance ingredient or odorant and may act as a fixative in perfumery and cosmetics due to its lipophilic heptyl moiety; in household products it can serve as a fragrance solvent; in coatings, inks, and adhesives it can function as a solvent or co-solvent to improve formulation and processing; in polymers and plastics manufacturing it may be used as a processing solvent or reactive diluent; overall, these roles reflect its combination of an acetal ring and a lipophilic substituent, providing function as an intermediate, solvent, fragrance component, and formulation aid.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6346.87
    methanol 5235.6
    isopropanol 5661.77
    water 0.24
    ethyl acetate 6344.29
    n-propanol 5268.74
    acetone 7276.87
    n-butanol 5039.12
    acetonitrile 5055.29
    DMF 2504.95
    toluene 1960.16
    isobutanol 3980.85
    1,4-dioxane 6691.08
    methyl acetate 3984.31
    THF 8103.96
    2-butanone 4830.23
    n-pentanol 3272.89
    sec-butanol 4414.64
    n-hexane 1793.58
    ethylene glycol 605.78
    NMP 1917.99
    cyclohexane 2524.74
    DMSO 5656.85
    n-butyl acetate 4798.71
    n-octanol 1151.84
    chloroform 11394.17
    n-propyl acetate 3964.46
    acetic acid 3703.08
    dichloromethane 10457.03
    cyclohexanone 6047.37
    propylene glycol 1120.44
    isopropyl acetate 4005.31
    DMAc 1763.09
    2-ethoxyethanol 3169.6
    isopentanol 4438.81
    n-heptane 911.99
    ethyl formate 2471.64
    1,2-dichloroethane 6432.86
    n-hexanol 3486.23
    2-methoxyethanol 4385.5
    isobutyl acetate 2127.79
    tetrachloromethane 2201.25
    n-pentyl acetate 2344.13
    transcutol 8272.83
    n-heptanol 1140.08
    ethylbenzene 920.08
    MIBK 2523.64
    2-propoxyethanol 3953.11
    tert-butanol 5899.13
    MTBE 6059.87
    2-butoxyethanol 1866.37
    propionic acid 3013.01
    o-xylene 963.87
    formic acid 647.17
    diethyl ether 8189.73
    m-xylene 1137.46
    p-xylene 1168.64
    chlorobenzene 2626.1
    dimethyl carbonate 761.6
    n-octane 272.02
    formamide 906.78
    cyclopentanone 4848.85
    2-pentanone 4743.75
    anisole 1750.36
    cyclopentyl methyl ether 4809.57
    gamma-butyrolactone 4429.15
    1-methoxy-2-propanol 3654.83
    pyridine 5143.19
    3-pentanone 2899.54
    furfural 3036.47
    n-dodecane 167.55
    diethylene glycol 1970.75
    diisopropyl ether 2125.02
    tert-amyl alcohol 4006.97
    acetylacetone 3755.95
    n-hexadecane 198.04
    acetophenone 1378.75
    methyl propionate 3102.98
    isopentyl acetate 3458.99
    trichloroethylene 8778.48
    n-nonanol 957.68
    cyclohexanol 4426.91
    benzyl alcohol 1356.62
    2-ethylhexanol 2001.48
    isooctanol 960.31
    dipropyl ether 3740.4
    1,2-dichlorobenzene 2078.16
    ethyl lactate 957.24
    propylene carbonate 2612.84
    n-methylformamide 1690.96
    2-pentanol 3810.43
    n-pentane 1398.73
    1-propoxy-2-propanol 3331.09
    1-methoxy-2-propyl acetate 2822.7
    2-(2-methoxypropoxy) propanol 1279.25
    mesitylene 776.62
    ε-caprolactone 4882.08
    p-cymene 660.81
    epichlorohydrin 5760.83
    1,1,1-trichloroethane 6288.85
    2-aminoethanol 1613.07
    morpholine-4-carbaldehyde 2702.85
    sulfolane 4012.17
    2,2,4-trimethylpentane 405.98
    2-methyltetrahydrofuran 7288.22
    n-hexyl acetate 2710.99
    isooctane 369.12
    2-(2-butoxyethoxy)ethanol 1966.2
    sec-butyl acetate 2456.06
    tert-butyl acetate 3434.14
    decalin 618.38
    glycerin 1064.0
    diglyme 3884.72
    acrylic acid 1835.93
    isopropyl myristate 858.78
    n-butyric acid 5674.2
    acetyl acetate 3004.35
    di(2-ethylhexyl) phthalate 575.63
    ethyl propionate 2878.05
    nitromethane 4397.98
    1,2-diethoxyethane 4787.87
    benzonitrile 2174.92
    trioctyl phosphate 468.47
    1-bromopropane 6190.2
    gamma-valerolactone 4735.29
    n-decanol 665.15
    triethyl phosphate 768.82
    4-methyl-2-pentanol 1744.11
    propionitrile 4516.78
    vinylene carbonate 2189.01
    1,1,2-trichlorotrifluoroethane 3553.83
    DMS 1382.71
    cumene 596.23
    2-octanol 837.14
    2-hexanone 3315.8
    octyl acetate 957.46
    limonene 1281.23
    1,2-dimethoxyethane 5255.74
    ethyl orthosilicate 851.7
    tributyl phosphate 668.95
    diacetone alcohol 2351.78
    N,N-dimethylaniline 903.88
    acrylonitrile 3698.16
    aniline 2256.06
    1,3-propanediol 2509.01
    bromobenzene 3143.34
    dibromomethane 8280.9
    1,1,2,2-tetrachloroethane 7135.78
    2-methyl-cyclohexyl acetate 1437.44
    tetrabutyl urea 756.11
    diisobutyl methanol 1054.61
    2-phenylethanol 1427.85
    styrene 1352.32
    dioctyl adipate 1063.17
    dimethyl sulfate 1008.09
    ethyl butyrate 2803.26
    methyl lactate 978.27
    butyl lactate 1261.63
    diethyl carbonate 1461.83
    propanediol butyl ether 1378.52
    triethyl orthoformate 1722.89
    p-tert-butyltoluene 651.97
    methyl 4-tert-butylbenzoate 1009.88
    morpholine 8171.93
    tert-butylamine 4408.56
    n-dodecanol 495.46
    dimethoxymethane 2888.84
    ethylene carbonate 2404.79
    cyrene 828.44
    2-ethoxyethyl acetate 2402.97
    2-ethylhexyl acetate 2495.63
    1,2,4-trichlorobenzene 2207.39
    4-methylpyridine 4209.35
    dibutyl ether 2888.61
    2,6-dimethyl-4-heptanol 1054.61
    DEF 3572.29
    dimethyl isosorbide 1856.76
    tetrachloroethylene 4721.55
    eugenol 885.22
    triacetin 1752.17
    span 80 1312.38
    1,4-butanediol 1020.76
    1,1-dichloroethane 7720.04
    2-methyl-1-pentanol 2528.68
    methyl formate 1159.11
    2-methyl-1-butanol 3589.27
    n-decane 326.63
    butyronitrile 5456.76
    3,7-dimethyl-1-octanol 1331.98
    1-chlorooctane 1072.63
    1-chlorotetradecane 384.64
    n-nonane 370.06
    undecane 219.45
    tert-butylcyclohexane 529.49
    cyclooctane 654.55
    cyclopentanol 3960.2
    tetrahydropyran 10011.46
    tert-amyl methyl ether 3139.16
    2,5,8-trioxanonane 2141.58
    1-hexene 4252.66
    2-isopropoxyethanol 2363.12
    2,2,2-trifluoroethanol 879.06
    methyl butyrate 3909.34

    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