Nonane, 1,1-diethoxy-

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  • Identifiers

    CAS number
    54815-13-3

    Molecular formula
    C13H28O2

    SMILES
    CCCCCCCCC(OCC)OCC

  • Odor profile

    Green 78.9%
    Citrus 78.02%
    Fruity 69.92%
    Floral 67.09%
    Fresh 63.69%
    Waxy 58.47%
    Fatty 57.07%
    Herbal 53.13%
    Orange 52.09%
    Oily 50.95%

    Scent© AI

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    7.43 (neutral)

    Molecular weight
    216.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    238°C

    Flash point est.
    91.88 ˚C

  • Synonyms

    • 1,1-Diethoxynonane
    • 54815-13-3
    • Nonanal diethyl acetal
    • Nonane, 1,1-diethoxy-
    • EINECS 259-360-4
    • DTXSID7068976
    • Nonanaldiethylacetal
    • MFCD00672806
    • 1,1-Diethoxynonane #
    • n-Nonanal diethyl acetal
    • 1,1-Diethoxy-n-nonane
    • Nonyl Aldehyde Diethyl Acetal
    • SCHEMBL3506094
    • DTXCID8041797
    • AKOS015838756
    • DB-311326
    • CS-0453520
    • N0956
    • NS00022358
    • Q63399286
    • 259-360-4

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9369.08
    methanol 6158.34
    isopropanol 10429.11
    water 0.2
    ethyl acetate 15750.74
    n-propanol 10207.75
    acetone 15255.4
    n-butanol 10741.97
    acetonitrile 10513.24
    DMF 6633.28
    toluene 7244.71
    isobutanol 9199.84
    1,4-dioxane 15475.56
    methyl acetate 9476.14
    THF 18807.36
    2-butanone 12446.58
    n-pentanol 7885.74
    sec-butanol 11656.16
    n-hexane 13974.18
    ethylene glycol 473.85
    NMP 7238.2
    cyclohexane 21415.92
    DMSO 9810.02
    n-butyl acetate 17573.65
    n-octanol 4775.11
    chloroform 29810.17
    n-propyl acetate 12806.92
    acetic acid 5482.32
    dichloromethane 29057.35
    cyclohexanone 22453.74
    propylene glycol 1067.56
    isopropyl acetate 10872.78
    DMAc 5611.37
    2-ethoxyethanol 5604.62
    isopentanol 10110.58
    n-heptane 8847.25
    ethyl formate 6411.99
    1,2-dichloroethane 18815.57
    n-hexanol 9463.22
    2-methoxyethanol 6824.43
    isobutyl acetate 7042.13
    tetrachloromethane 8250.3
    n-pentyl acetate 10211.9
    transcutol 13095.6
    n-heptanol 3930.16
    ethylbenzene 4236.07
    MIBK 7411.74
    2-propoxyethanol 7504.97
    tert-butanol 13351.05
    MTBE 18277.7
    2-butoxyethanol 4461.31
    propionic acid 5694.41
    o-xylene 4057.96
    formic acid 591.96
    diethyl ether 22809.57
    m-xylene 4017.58
    p-xylene 5886.83
    chlorobenzene 8802.82
    dimethyl carbonate 1638.32
    n-octane 2458.76
    formamide 1038.16
    cyclopentanone 14255.49
    2-pentanone 13190.5
    anisole 4968.04
    cyclopentyl methyl ether 15941.22
    gamma-butyrolactone 11443.88
    1-methoxy-2-propanol 6057.93
    pyridine 13957.12
    3-pentanone 9411.41
    furfural 7109.11
    n-dodecane 1045.44
    diethylene glycol 2370.65
    diisopropyl ether 7818.55
    tert-amyl alcohol 12721.29
    acetylacetone 9012.3
    n-hexadecane 1253.2
    acetophenone 4510.57
    methyl propionate 7482.92
    isopentyl acetate 12706.91
    trichloroethylene 24186.63
    n-nonanol 3956.16
    cyclohexanol 15231.31
    benzyl alcohol 3361.38
    2-ethylhexanol 8127.63
    isooctanol 3648.96
    dipropyl ether 16634.72
    1,2-dichlorobenzene 7218.22
    ethyl lactate 2323.15
    propylene carbonate 7131.57
    n-methylformamide 3470.33
    2-pentanol 10121.69
    n-pentane 8910.13
    1-propoxy-2-propanol 8140.53
    1-methoxy-2-propyl acetate 6746.42
    2-(2-methoxypropoxy) propanol 2696.53
    mesitylene 2955.31
    ε-caprolactone 16014.53
    p-cymene 3307.87
    epichlorohydrin 13806.56
    1,1,1-trichloroethane 21704.09
    2-aminoethanol 1633.96
    morpholine-4-carbaldehyde 6693.85
    sulfolane 11278.87
    2,2,4-trimethylpentane 2634.86
    2-methyltetrahydrofuran 22604.93
    n-hexyl acetate 10729.69
    isooctane 1869.01
    2-(2-butoxyethoxy)ethanol 4022.57
    sec-butyl acetate 8523.81
    tert-butyl acetate 10029.6
    decalin 4344.98
    glycerin 965.19
    diglyme 8846.69
    acrylic acid 3053.39
    isopropyl myristate 3469.97
    n-butyric acid 12187.79
    acetyl acetate 6880.67
    di(2-ethylhexyl) phthalate 1809.82
    ethyl propionate 9332.47
    nitromethane 8329.85
    1,2-diethoxyethane 12986.45
    benzonitrile 6727.19
    trioctyl phosphate 1707.82
    1-bromopropane 21640.76
    gamma-valerolactone 12827.45
    n-decanol 2555.37
    triethyl phosphate 2915.59
    4-methyl-2-pentanol 4859.86
    propionitrile 10352.24
    vinylene carbonate 5759.91
    1,1,2-trichlorotrifluoroethane 7511.11
    DMS 3900.08
    cumene 2796.18
    2-octanol 3881.11
    2-hexanone 11502.15
    octyl acetate 3822.84
    limonene 7098.2
    1,2-dimethoxyethane 14011.71
    ethyl orthosilicate 3402.62
    tributyl phosphate 2408.81
    diacetone alcohol 5696.71
    N,N-dimethylaniline 3334.29
    acrylonitrile 7481.79
    aniline 6037.06
    1,3-propanediol 3268.8
    bromobenzene 10932.29
    dibromomethane 25532.56
    1,1,2,2-tetrachloroethane 22540.69
    2-methyl-cyclohexyl acetate 5670.64
    tetrabutyl urea 3004.75
    diisobutyl methanol 4578.55
    2-phenylethanol 3458.92
    styrene 5511.91
    dioctyl adipate 3882.66
    dimethyl sulfate 2213.19
    ethyl butyrate 11589.88
    methyl lactate 1855.05
    butyl lactate 4251.49
    diethyl carbonate 5532.49
    propanediol butyl ether 3136.4
    triethyl orthoformate 7040.3
    p-tert-butyltoluene 3021.11
    methyl 4-tert-butylbenzoate 3116.17
    morpholine 19251.79
    tert-butylamine 12028.55
    n-dodecanol 1939.2
    dimethoxymethane 5826.63
    ethylene carbonate 6736.43
    cyrene 1937.74
    2-ethoxyethyl acetate 7090.15
    2-ethylhexyl acetate 10883.2
    1,2,4-trichlorobenzene 7229.95
    4-methylpyridine 14103.69
    dibutyl ether 14512.25
    2,6-dimethyl-4-heptanol 4578.55
    DEF 11567.42
    dimethyl isosorbide 4430.46
    tetrachloroethylene 15275.99
    eugenol 2379.92
    triacetin 5069.94
    span 80 3354.3
    1,4-butanediol 1517.65
    1,1-dichloroethane 22499.0
    2-methyl-1-pentanol 7045.16
    methyl formate 2352.34
    2-methyl-1-butanol 9914.04
    n-decane 2339.55
    butyronitrile 13607.33
    3,7-dimethyl-1-octanol 4955.14
    1-chlorooctane 6040.67
    1-chlorotetradecane 1883.64
    n-nonane 2856.87
    undecane 1442.46
    tert-butylcyclohexane 3554.67
    cyclooctane 5300.02
    cyclopentanol 11113.47
    tetrahydropyran 31817.0
    tert-amyl methyl ether 11709.25
    2,5,8-trioxanonane 4344.69
    1-hexene 20359.79
    2-isopropoxyethanol 4743.55
    2,2,2-trifluoroethanol 1300.4
    methyl butyrate 13148.95

    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%