Heptanal 1,2-glyceryl acetal

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  • Identifiers

    CAS number
    1708-35-6

    Molecular formula
    C10H20O3

    SMILES
    CCCCCCC1OCC(O1)CO

  • Odor profile

    Fragrance
    Green 80.28%
    Sweet 64.74%
    Fruity 53.48%
    Fresh 51.73%
    Fatty 48.96%
    Oily 45.24%
    Earthy 39.87%
    Herbal 38.94%
    Citrus 33.97%
    Mushroom 33.8%

     

    Flavor
    Fatty 49.31%
    Oily 43.27%
    Green 42.01%
    Sweet 40.39%
    Waxy 37.68%
    Coconut 34.55%
    Creamy 33.97%
    Vegetable 31.31%
    Mushroom 31.18%
    Metallic 30.72%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    7.29 (neutral)

    Molecular weight
    188.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    282°C

    Flash point

    • 123.96 ˚C est.

    Solubility expt.

    • slightly soluble in water; soluble in organic solvents, oils
    • miscible (in ethanol)

  • Synonyms

    • 2-Hexyl-1,3-dioxolane-4-methanol
    • Heptanal glyceryl acetal
    • 1708-35-6
    • (2-hexyl-1,3-dioxolan-4-yl)methanol
    • Heptanal 1,2-glyceryl acetal
    • 1,3-DIOXOLANE-4-METHANOL, 2-HEXYL-
    • Heptanal, 1,2-glyceryl acetal
    • Heptanal glyceryl acetal (1,2 acetal)
    • EINECS 216-960-0
    • 63ZBP77DDC
    • Heptanal, cyclic (hydroxymethyl)ethylene acetal
    • BRN 0108185
    • DTXSID10862737
    • 4-19-00-00680 (Beilstein Handbook Reference)
    • FEMA NO. 2542, 1,2 ACETAL-
    • HEPTANAL CYCLIC (HYDROXYMETHYL)ETHYLENE ACETAL
    • FEMA No. 2542
    • UNII-63ZBP77DDC
    • FEMA 2542
    • SCHEMBL1681846
    • DTXCID90811460
    • CHEBI:171758
    • TYRXGKKCQUIWGI-UHFFFAOYSA-N
    • AKOS006273113
    • NS00012606
    • Q27263666
    • 216-960-0

  • Applications

    Heptanal 1,2-glyceryl acetal (CAS 1708-35-6) is used primarily as a fragrance ingredient and fixative in perfumery, helping to impart and stabilize green, citrus-like notes associated with heptanal while reducing volatility. It is often employed as an intermediate in fragrance synthesis and can appear as a component in cosmetic and personal care formulations as well as household products that carry fragrance. In industrial manufacturing, it may function as a fragrance-building block for specialty scent compounds and related formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7041.65
    methanol 8800.3
    isopropanol 4808.75
    water 2.4
    ethyl acetate 3626.36
    n-propanol 4381.21
    acetone 5028.27
    n-butanol 3850.4
    acetonitrile 3232.97
    DMF 2442.17
    toluene 444.27
    isobutanol 2824.27
    1,4-dioxane 3023.59
    methyl acetate 2084.96
    THF 4447.48
    2-butanone 2403.27
    n-pentanol 1902.56
    sec-butanol 2677.7
    n-hexane 141.39
    ethylene glycol 1023.73
    NMP 1287.34
    cyclohexane 275.9
    DMSO 6606.18
    n-butyl acetate 1891.35
    n-octanol 462.79
    chloroform 4553.39
    n-propyl acetate 1835.87
    acetic acid 4348.19
    dichloromethane 4646.15
    cyclohexanone 2743.92
    propylene glycol 1382.44
    isopropyl acetate 2047.9
    DMAc 1299.65
    2-ethoxyethanol 2507.28
    isopentanol 2818.11
    n-heptane 85.47
    ethyl formate 1965.74
    1,2-dichloroethane 3059.12
    n-hexanol 1456.24
    2-methoxyethanol 4506.17
    isobutyl acetate 966.53
    tetrachloromethane 653.89
    n-pentyl acetate 854.22
    transcutol 5015.18
    n-heptanol 482.46
    ethylbenzene 228.05
    MIBK 1304.87
    2-propoxyethanol 2217.51
    tert-butanol 4250.34
    MTBE 2441.41
    2-butoxyethanol 1014.73
    propionic acid 2380.4
    o-xylene 282.07
    formic acid 1551.28
    diethyl ether 2929.91
    m-xylene 337.09
    p-xylene 321.47
    chlorobenzene 913.45
    dimethyl carbonate 530.83
    n-octane 34.64
    formamide 1836.49
    cyclopentanone 2769.44
    2-pentanone 2543.98
    anisole 654.69
    cyclopentyl methyl ether 1822.62
    gamma-butyrolactone 2913.43
    1-methoxy-2-propanol 3157.34
    pyridine 2056.65
    3-pentanone 1165.61
    furfural 2079.65
    n-dodecane 29.27
    diethylene glycol 1751.48
    diisopropyl ether 644.06
    tert-amyl alcohol 2188.95
    acetylacetone 2260.35
    n-hexadecane 34.14
    acetophenone 669.37
    methyl propionate 1701.02
    isopentyl acetate 1425.03
    trichloroethylene 4297.72
    n-nonanol 372.81
    cyclohexanol 1955.69
    benzyl alcohol 749.49
    2-ethylhexanol 673.57
    isooctanol 395.64
    dipropyl ether 858.63
    1,2-dichlorobenzene 766.44
    ethyl lactate 591.7
    propylene carbonate 1649.34
    n-methylformamide 2086.73
    2-pentanol 2255.61
    n-pentane 169.46
    1-propoxy-2-propanol 1541.72
    1-methoxy-2-propyl acetate 1296.08
    2-(2-methoxypropoxy) propanol 727.52
    mesitylene 235.74
    ε-caprolactone 2360.56
    p-cymene 193.42
    epichlorohydrin 3317.4
    1,1,1-trichloroethane 2287.36
    2-aminoethanol 2193.22
    morpholine-4-carbaldehyde 1720.22
    sulfolane 2888.96
    2,2,4-trimethylpentane 85.07
    2-methyltetrahydrofuran 2855.9
    n-hexyl acetate 1005.16
    isooctane 78.26
    2-(2-butoxyethoxy)ethanol 1137.81
    sec-butyl acetate 1087.99
    tert-butyl acetate 1639.19
    decalin 99.84
    glycerin 1389.14
    diglyme 2121.27
    acrylic acid 1632.91
    isopropyl myristate 304.27
    n-butyric acid 4425.59
    acetyl acetate 1731.75
    di(2-ethylhexyl) phthalate 277.86
    ethyl propionate 1220.7
    nitromethane 4882.01
    1,2-diethoxyethane 1699.21
    benzonitrile 978.95
    trioctyl phosphate 225.6
    1-bromopropane 1823.46
    gamma-valerolactone 3011.8
    n-decanol 256.81
    triethyl phosphate 345.29
    4-methyl-2-pentanol 890.4
    propionitrile 2219.82
    vinylene carbonate 1417.05
    1,1,2-trichlorotrifluoroethane 2509.56
    DMS 652.14
    cumene 177.53
    2-octanol 311.95
    2-hexanone 1358.75
    octyl acetate 371.37
    limonene 344.66
    1,2-dimethoxyethane 3079.8
    ethyl orthosilicate 351.78
    tributyl phosphate 320.05
    diacetone alcohol 1510.7
    N,N-dimethylaniline 364.48
    acrylonitrile 2112.08
    aniline 960.28
    1,3-propanediol 3092.77
    bromobenzene 927.76
    dibromomethane 2971.46
    1,1,2,2-tetrachloroethane 3303.58
    2-methyl-cyclohexyl acetate 588.66
    tetrabutyl urea 345.04
    diisobutyl methanol 368.51
    2-phenylethanol 677.55
    styrene 352.15
    dioctyl adipate 455.49
    dimethyl sulfate 724.5
    ethyl butyrate 1035.67
    methyl lactate 782.98
    butyl lactate 656.42
    diethyl carbonate 621.1
    propanediol butyl ether 938.67
    triethyl orthoformate 622.95
    p-tert-butyltoluene 190.74
    methyl 4-tert-butylbenzoate 514.99
    morpholine 4077.53
    tert-butylamine 2323.55
    n-dodecanol 186.16
    dimethoxymethane 1942.12
    ethylene carbonate 1485.65
    cyrene 546.88
    2-ethoxyethyl acetate 1098.58
    2-ethylhexyl acetate 928.76
    1,2,4-trichlorobenzene 869.68
    4-methylpyridine 1691.83
    dibutyl ether 707.97
    2,6-dimethyl-4-heptanol 368.51
    DEF 1911.47
    dimethyl isosorbide 1009.17
    tetrachloroethylene 2280.49
    eugenol 511.5
    triacetin 826.24
    span 80 663.19
    1,4-butanediol 1113.09
    1,1-dichloroethane 2942.96
    2-methyl-1-pentanol 1279.83
    methyl formate 1458.18
    2-methyl-1-butanol 2180.78
    n-decane 54.11
    butyronitrile 2817.67
    3,7-dimethyl-1-octanol 500.4
    1-chlorooctane 283.34
    1-chlorotetradecane 96.51
    n-nonane 55.42
    undecane 37.14
    tert-butylcyclohexane 92.08
    cyclooctane 75.78
    cyclopentanol 1995.54
    tetrahydropyran 3351.94
    tert-amyl methyl ether 1150.5
    2,5,8-trioxanonane 1243.46
    1-hexene 681.61
    2-isopropoxyethanol 1481.38
    2,2,2-trifluoroethanol 1118.45
    methyl butyrate 1951.24

    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