Hexane, 1,1-diethoxy-

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  • Identifiers

    CAS number
    3658-93-3

    Molecular formula
    C10H22O2

    SMILES
    CCCCCC(OCC)OCC

    Safety labels

    Flammable
    Flammable

    Retention indicies (RI)

    • Carbowax: 1232.0

  • Odor profile

    Green 96.54%
    Fruity 65.17%
    Apple 64.61%
    Cognac 62.38%
    Ethereal 54.5%
    Herbal 53.88%
    Vegetable 53.04%
    Alcoholic 50.59%
    Floral 47.77%
    Leafy 45.47%

    Scent© AI

  • Properties

    XLogP3-AA
    3.2

    Molecular weight
    174.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    184°C

    Flash point est.
    56.61 ˚C

  • Synonyms

    • 1,1-Diethoxyhexane
    • 3658-93-3
    • Hexane, 1,1-diethoxy-
    • hexanal diethyl acetal
    • Hexaldehyde Diethyl Acetal
    • Hexanal, diethyl acetal
    • Aldehyde C-6 diethyl acetal
    • EINECS 222-911-4
    • DTXSID0052045
    • HEXALDEHYDEDIETHYLACETAL
    • Hexyl Aldehyde Diethyl Acetal
    • MFCD00129692
    • Hexylaldehyde diacetal
    • 1,1-diethoxy-hexane
    • starbld0009599
    • n-Hexanal diethyl acetal
    • GT39HPH5MZ
    • SCHEMBL3380382
    • DTXCID5030612
    • AKOS006241771
    • LS-13913
    • H1443
    • NS00012562
    • D91031
    • Q63395625
    • 222-911-4

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10768.26
    methanol 9429.67
    isopropanol 10215.73
    water 1.5
    ethyl acetate 10315.3
    n-propanol 10218.67
    acetone 11195.78
    n-butanol 10308.69
    acetonitrile 9585.11
    DMF 6234.32
    toluene 5743.64
    isobutanol 8823.28
    1,4-dioxane 13001.98
    methyl acetate 6871.18
    THF 14099.45
    2-butanone 8827.1
    n-pentanol 6787.88
    sec-butanol 11241.95
    n-hexane 9900.34
    ethylene glycol 1005.74
    NMP 6712.11
    cyclohexane 15359.67
    DMSO 7556.8
    n-butyl acetate 12311.3
    n-octanol 4427.58
    chloroform 29205.81
    n-propyl acetate 7116.84
    acetic acid 8544.7
    dichloromethane 24345.93
    cyclohexanone 16258.11
    propylene glycol 1698.43
    isopropyl acetate 6691.39
    DMAc 4893.59
    2-ethoxyethanol 4892.55
    isopentanol 8686.69
    n-heptane 6533.22
    ethyl formate 5499.55
    1,2-dichloroethane 13865.84
    n-hexanol 9148.71
    2-methoxyethanol 7162.52
    isobutyl acetate 4239.84
    tetrachloromethane 7473.96
    n-pentyl acetate 6681.97
    transcutol 9971.52
    n-heptanol 3541.07
    ethylbenzene 3324.52
    MIBK 4549.85
    2-propoxyethanol 6769.16
    tert-butanol 12404.82
    MTBE 12601.05
    2-butoxyethanol 3750.3
    propionic acid 6337.01
    o-xylene 3232.44
    formic acid 1342.27
    diethyl ether 14711.73
    m-xylene 3248.54
    p-xylene 4779.98
    chlorobenzene 7267.88
    dimethyl carbonate 1407.24
    n-octane 1829.17
    formamide 1697.1
    cyclopentanone 10091.79
    2-pentanone 8662.32
    anisole 3886.43
    cyclopentyl methyl ether 10440.58
    gamma-butyrolactone 9585.14
    1-methoxy-2-propanol 5325.02
    pyridine 11722.42
    3-pentanone 6128.0
    furfural 6749.16
    n-dodecane 936.18
    diethylene glycol 2842.39
    diisopropyl ether 4532.06
    tert-amyl alcohol 11332.36
    acetylacetone 5871.13
    n-hexadecane 1084.73
    acetophenone 3343.62
    methyl propionate 5135.04
    isopentyl acetate 8649.37
    trichloroethylene 20436.73
    n-nonanol 3627.66
    cyclohexanol 13839.25
    benzyl alcohol 3087.23
    2-ethylhexanol 6721.31
    isooctanol 2998.67
    dipropyl ether 9936.87
    1,2-dichlorobenzene 5758.68
    ethyl lactate 1772.69
    propylene carbonate 5953.4
    n-methylformamide 3749.69
    2-pentanol 8527.29
    n-pentane 7041.1
    1-propoxy-2-propanol 6375.46
    1-methoxy-2-propyl acetate 4575.07
    2-(2-methoxypropoxy) propanol 2420.67
    mesitylene 2168.39
    ε-caprolactone 11585.51
    p-cymene 2567.05
    epichlorohydrin 10450.63
    1,1,1-trichloroethane 16538.01
    2-aminoethanol 2518.61
    morpholine-4-carbaldehyde 6009.2
    sulfolane 8867.1
    2,2,4-trimethylpentane 2073.89
    2-methyltetrahydrofuran 15622.76
    n-hexyl acetate 7547.92
    isooctane 1377.98
    2-(2-butoxyethoxy)ethanol 3414.76
    sec-butyl acetate 4698.38
    tert-butyl acetate 5567.52
    decalin 3150.36
    glycerin 1677.07
    diglyme 6552.04
    acrylic acid 4021.05
    isopropyl myristate 2568.51
    n-butyric acid 11529.8
    acetyl acetate 5096.31
    di(2-ethylhexyl) phthalate 1571.15
    ethyl propionate 5367.92
    nitromethane 8484.55
    1,2-diethoxyethane 8028.19
    benzonitrile 6164.53
    trioctyl phosphate 1433.65
    1-bromopropane 14510.43
    gamma-valerolactone 9842.65
    n-decanol 2416.1
    triethyl phosphate 2091.32
    4-methyl-2-pentanol 3699.46
    propionitrile 8774.07
    vinylene carbonate 5210.82
    1,1,2-trichlorotrifluoroethane 7113.23
    DMS 2935.08
    cumene 2153.34
    2-octanol 3376.57
    2-hexanone 6931.83
    octyl acetate 2992.51
    limonene 5226.21
    1,2-dimethoxyethane 10233.14
    ethyl orthosilicate 2361.63
    tributyl phosphate 1983.46
    diacetone alcohol 3931.96
    N,N-dimethylaniline 2684.02
    acrylonitrile 7241.99
    aniline 5326.22
    1,3-propanediol 4201.6
    bromobenzene 8758.48
    dibromomethane 20052.16
    1,1,2,2-tetrachloroethane 18562.92
    2-methyl-cyclohexyl acetate 3988.85
    tetrabutyl urea 2364.27
    diisobutyl methanol 3318.36
    2-phenylethanol 3226.63
    styrene 4375.34
    dioctyl adipate 2987.4
    dimethyl sulfate 1879.91
    ethyl butyrate 7010.49
    methyl lactate 1698.38
    butyl lactate 3171.34
    diethyl carbonate 3710.99
    propanediol butyl ether 3041.5
    triethyl orthoformate 4609.61
    p-tert-butyltoluene 2358.38
    methyl 4-tert-butylbenzoate 2561.92
    morpholine 15428.84
    tert-butylamine 10634.66
    n-dodecanol 1811.64
    dimethoxymethane 4504.56
    ethylene carbonate 5644.13
    cyrene 1746.47
    2-ethoxyethyl acetate 4556.29
    2-ethylhexyl acetate 7283.93
    1,2,4-trichlorobenzene 6060.6
    4-methylpyridine 11620.05
    dibutyl ether 9230.3
    2,6-dimethyl-4-heptanol 3318.36
    DEF 8156.65
    dimethyl isosorbide 3583.7
    tetrachloroethylene 13341.57
    eugenol 2102.42
    triacetin 3697.85
    span 80 2970.72
    1,4-butanediol 1824.69
    1,1-dichloroethane 17466.11
    2-methyl-1-pentanol 5878.08
    methyl formate 2757.32
    2-methyl-1-butanol 8939.77
    n-decane 1926.12
    butyronitrile 11649.72
    3,7-dimethyl-1-octanol 4187.47
    1-chlorooctane 4646.57
    1-chlorotetradecane 1561.65
    n-nonane 2292.2
    undecane 1255.5
    tert-butylcyclohexane 2582.59
    cyclooctane 3718.04
    cyclopentanol 10131.54
    tetrahydropyran 22239.86
    tert-amyl methyl ether 7940.2
    2,5,8-trioxanonane 3658.29
    1-hexene 14318.67
    2-isopropoxyethanol 3786.07
    2,2,2-trifluoroethanol 1916.01
    methyl butyrate 7916.0

    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
Psidium cattleianum fruit (R‚union Island) Psidium cattleianum Sabine, fam. Myrtaceae 0.8%
Cassie absolute 1a extract 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.5%