Heptane, 1,1-diethoxy-

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    688-82-4

    Molecular formula
    C11H24O2

    SMILES
    CCCCCCC(OCC)OCC

  • Odor profile

    Green 94.59%
    Fruity 61.6%
    Floral 60.18%
    Herbal 59.46%
    Citrus 56.63%
    Apple 56.37%
    Fresh 53.02%
    Oily 51.77%
    Fatty 51.6%
    Cognac 50.04%

    Scent© AI

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    8.04 (weak base)

    Molecular weight
    188.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    203°C

    Flash point est.
    70.44 ˚C

  • Synonyms

    • 1,1-Diethoxyheptane
    • Heptanal-diethylacetal
    • 688-82-4
    • Heptane, 1,1-diethoxy-
    • Heptanal, diethyl acetal
    • heptanal diethyl acetal
    • EINECS 211-707-0
    • DTXSID9060996
    • n-Heptanal diethyl acetal
    • Heptaldehyde diethyl acetal
    • enanthaldehyde diethyl acetal
    • SCHEMBL113618
    • DTXCID4046234
    • MFCD00672775
    • AKOS006243256
    • DB-326444
    • NS00012514
    • Q63395220
    • 211-707-0

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10844.83
    methanol 8848.44
    isopropanol 11011.31
    water 0.6
    ethyl acetate 13331.33
    n-propanol 10907.46
    acetone 15203.33
    n-butanol 11182.91
    acetonitrile 11489.25
    DMF 7792.06
    toluene 7104.78
    isobutanol 9817.66
    1,4-dioxane 14295.38
    methyl acetate 8805.79
    THF 16015.06
    2-butanone 11880.35
    n-pentanol 7982.38
    sec-butanol 12294.68
    n-hexane 13399.19
    ethylene glycol 852.67
    NMP 8256.54
    cyclohexane 18079.7
    DMSO 10924.36
    n-butyl acetate 15710.77
    n-octanol 4783.02
    chloroform 32466.46
    n-propyl acetate 10260.58
    acetic acid 7833.47
    dichloromethane 28749.12
    cyclohexanone 21008.39
    propylene glycol 1581.45
    isopropyl acetate 8925.26
    DMAc 5924.92
    2-ethoxyethanol 5483.25
    isopentanol 10174.16
    n-heptane 7673.16
    ethyl formate 6395.83
    1,2-dichloroethane 17762.33
    n-hexanol 9942.77
    2-methoxyethanol 7702.66
    isobutyl acetate 5789.44
    tetrachloromethane 8762.8
    n-pentyl acetate 8686.59
    transcutol 12723.98
    n-heptanol 3850.09
    ethylbenzene 4173.62
    MIBK 6116.74
    2-propoxyethanol 7690.91
    tert-butanol 14002.59
    MTBE 16152.53
    2-butoxyethanol 4257.11
    propionic acid 7042.66
    o-xylene 4047.89
    formic acid 1112.81
    diethyl ether 19745.83
    m-xylene 3989.51
    p-xylene 5814.03
    chlorobenzene 8938.67
    dimethyl carbonate 1757.51
    n-octane 2159.03
    formamide 1616.44
    cyclopentanone 13102.96
    2-pentanone 11818.02
    anisole 4887.61
    cyclopentyl methyl ether 13645.09
    gamma-butyrolactone 11425.72
    1-methoxy-2-propanol 6013.94
    pyridine 14026.94
    3-pentanone 8581.89
    furfural 7946.27
    n-dodecane 995.86
    diethylene glycol 2968.81
    diisopropyl ether 6297.8
    tert-amyl alcohol 12964.66
    acetylacetone 8038.8
    n-hexadecane 1185.09
    acetophenone 4364.65
    methyl propionate 6882.37
    isopentyl acetate 11236.33
    trichloroethylene 25059.31
    n-nonanol 3898.42
    cyclohexanol 15589.13
    benzyl alcohol 3617.51
    2-ethylhexanol 7921.53
    isooctanol 3410.0
    dipropyl ether 13300.83
    1,2-dichlorobenzene 7272.02
    ethyl lactate 2180.02
    propylene carbonate 7122.72
    n-methylformamide 4376.74
    2-pentanol 10272.58
    n-pentane 8403.72
    1-propoxy-2-propanol 7786.87
    1-methoxy-2-propyl acetate 5983.83
    2-(2-methoxypropoxy) propanol 2780.44
    mesitylene 2796.59
    ε-caprolactone 14263.85
    p-cymene 3212.85
    epichlorohydrin 12826.1
    1,1,1-trichloroethane 20929.4
    2-aminoethanol 2336.91
    morpholine-4-carbaldehyde 6987.48
    sulfolane 12099.89
    2,2,4-trimethylpentane 2617.77
    2-methyltetrahydrofuran 19260.65
    n-hexyl acetate 9613.35
    isooctane 1749.73
    2-(2-butoxyethoxy)ethanol 4012.27
    sec-butyl acetate 6599.87
    tert-butyl acetate 7716.91
    decalin 4017.0
    glycerin 1507.65
    diglyme 8084.68
    acrylic acid 4321.15
    isopropyl myristate 3045.24
    n-butyric acid 12911.1
    acetyl acetate 6394.33
    di(2-ethylhexyl) phthalate 1833.4
    ethyl propionate 7632.74
    nitromethane 9592.65
    1,2-diethoxyethane 10588.14
    benzonitrile 7394.05
    trioctyl phosphate 1634.74
    1-bromopropane 19325.49
    gamma-valerolactone 12021.72
    n-decanol 2542.27
    triethyl phosphate 2580.13
    4-methyl-2-pentanol 4527.36
    propionitrile 10685.53
    vinylene carbonate 6158.74
    1,1,2-trichlorotrifluoroethane 8534.85
    DMS 3805.09
    cumene 2675.69
    2-octanol 3728.55
    2-hexanone 9913.92
    octyl acetate 3507.7
    limonene 6671.17
    1,2-dimethoxyethane 12440.39
    ethyl orthosilicate 2934.79
    tributyl phosphate 2339.35
    diacetone alcohol 5021.93
    N,N-dimethylaniline 3318.98
    acrylonitrile 8644.18
    aniline 6581.46
    1,3-propanediol 4045.21
    bromobenzene 11074.25
    dibromomethane 24644.31
    1,1,2,2-tetrachloroethane 22992.53
    2-methyl-cyclohexyl acetate 5008.88
    tetrabutyl urea 2845.83
    diisobutyl methanol 4167.4
    2-phenylethanol 3713.95
    styrene 5505.65
    dioctyl adipate 3545.05
    dimethyl sulfate 2489.35
    ethyl butyrate 9277.7
    methyl lactate 2023.7
    butyl lactate 4027.62
    diethyl carbonate 4595.4
    propanediol butyl ether 3398.16
    triethyl orthoformate 5787.56
    p-tert-butyltoluene 2928.45
    methyl 4-tert-butylbenzoate 3009.51
    morpholine 17556.88
    tert-butylamine 12331.59
    n-dodecanol 1931.74
    dimethoxymethane 5506.26
    ethylene carbonate 6606.79
    cyrene 2019.6
    2-ethoxyethyl acetate 6115.23
    2-ethylhexyl acetate 9447.94
    1,2,4-trichlorobenzene 7558.56
    4-methylpyridine 14241.49
    dibutyl ether 12077.74
    2,6-dimethyl-4-heptanol 4167.4
    DEF 10807.17
    dimethyl isosorbide 4372.97
    tetrachloroethylene 16008.16
    eugenol 2496.9
    triacetin 4677.22
    span 80 3390.54
    1,4-butanediol 1842.9
    1,1-dichloroethane 21174.76
    2-methyl-1-pentanol 7119.31
    methyl formate 3145.59
    2-methyl-1-butanol 10479.88
    n-decane 2113.09
    butyronitrile 13921.15
    3,7-dimethyl-1-octanol 4935.66
    1-chlorooctane 5562.62
    1-chlorotetradecane 1768.38
    n-nonane 2557.99
    undecane 1371.97
    tert-butylcyclohexane 3339.83
    cyclooctane 4554.74
    cyclopentanol 11224.71
    tetrahydropyran 26903.48
    tert-amyl methyl ether 10751.13
    2,5,8-trioxanonane 4257.96
    1-hexene 19258.09
    2-isopropoxyethanol 4390.8
    2,2,2-trifluoroethanol 1881.37
    methyl butyrate 11070.34

    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

Botanical

Name CAS Botanical Proportion
Cassie absolute 1a extract 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.5%
Cassie absolute 1b headspace 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.5%