6-Octenal, 3,7-dimethyl-, oxime

Overview IFRA Request a quote

  • Identifiers

    CAS number
    22457-25-6

    Molecular formula
    C10H19NO

    SMILES
    CC(CCC=C(C)C)CC=NO

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Citrus 66.07%
    Green 50.17%
    Fresh 46.45%
    Lemon 43.96%
    Floral 43.38%
    Aldehydic 39.63%
    Grapefruit 33.12%
    Herbal 30.93%
    Ozone 29.77%
    Muguet 28.35%

     

    Flavor
    Floral 58.2%
    Citrus 51.01%
    Green 46.72%
    Herbal 46.04%
    Waxy 42.78%
    Sweet 41.77%
    Fresh 34.75%
    Woody 32.63%
    Spicy 31.63%
    Lemon 31.42%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    10.14 (weak base)

    Molecular weight
    169.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    263°C

    Flash point

    • 106.93 ˚C est.

  • Synonyms

    • 22457-25-6
    • 6-Octenal, 3,7-dimethyl-, oxime
    • 3,7-Dimethyloct-6-enal oxime
    • Citronellal oxime
    • 6-Octenaldoxime, 3,7-dimethyl-
    • EINECS 245-011-3
    • NSC 152365
    • AI3-12093
    • DTXSID30885206
    • Citronellaloxim
    • SCHEMBL3273714
    • 3,7-dimethyl-oct-6-enal oxime
    • DTXCID301024600
    • NS00050124

  • Applications

    6-Octenal, 3,7-dimethyl-, oxime (CAS 22457-25-6) is primarily an organic synthesis intermediate; it may be used as an odorant or fragrance-related compound and can function as a potential fixative or aroma precursor in perfumery; it may be evaluated for use in cosmetics/personal care as a fragrance ingredient; in industrial manufacturing it serves as a chemical precursor for further transformations, including oxime chemistry; in polymers/plastics it can be employed as a functional monomer or comonomer for specialty polymers; in coatings/inks it may act as a reactive modifier or aroma additive component.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 410.7
    methanol 314.99
    isopropanol 343.33
    water 0.16
    ethyl acetate 171.52
    n-propanol 298.72
    acetone 223.96
    n-butanol 304.09
    acetonitrile 117.2
    DMF 176.57
    toluene 114.56
    isobutanol 211.19
    1,4-dioxane 384.33
    methyl acetate 134.76
    THF 555.95
    2-butanone 214.62
    n-pentanol 222.13
    sec-butanol 241.97
    n-hexane 48.3
    ethylene glycol 40.7
    NMP 138.67
    cyclohexane 62.19
    DMSO 242.83
    n-butyl acetate 224.8
    n-octanol 98.44
    chloroform 495.73
    n-propyl acetate 140.14
    acetic acid 159.89
    dichloromethane 330.75
    cyclohexanone 286.92
    propylene glycol 111.43
    isopropyl acetate 115.93
    DMAc 155.07
    2-ethoxyethanol 221.8
    isopentanol 243.48
    n-heptane 32.05
    ethyl formate 94.11
    1,2-dichloroethane 215.42
    n-hexanol 328.22
    2-methoxyethanol 312.78
    isobutyl acetate 106.39
    tetrachloromethane 83.19
    n-pentyl acetate 101.11
    transcutol 859.32
    n-heptanol 107.29
    ethylbenzene 75.23
    MIBK 127.63
    2-propoxyethanol 352.1
    tert-butanol 397.96
    MTBE 232.4
    2-butoxyethanol 172.39
    propionic acid 124.96
    o-xylene 80.37
    formic acid 38.44
    diethyl ether 207.92
    m-xylene 103.33
    p-xylene 92.64
    chlorobenzene 122.58
    dimethyl carbonate 28.75
    n-octane 11.38
    formamide 41.5
    cyclopentanone 265.54
    2-pentanone 190.51
    anisole 126.18
    cyclopentyl methyl ether 219.68
    gamma-butyrolactone 215.65
    1-methoxy-2-propanol 291.41
    pyridine 227.08
    3-pentanone 106.28
    furfural 204.77
    n-dodecane 8.08
    diethylene glycol 189.04
    diisopropyl ether 65.02
    tert-amyl alcohol 244.21
    acetylacetone 143.36
    n-hexadecane 9.27
    acetophenone 111.65
    methyl propionate 99.99
    isopentyl acetate 211.42
    trichloroethylene 401.24
    n-nonanol 85.84
    cyclohexanol 230.78
    benzyl alcohol 127.33
    2-ethylhexanol 172.58
    isooctanol 87.12
    dipropyl ether 163.7
    1,2-dichlorobenzene 108.25
    ethyl lactate 71.99
    propylene carbonate 137.11
    n-methylformamide 76.54
    2-pentanol 199.99
    n-pentane 38.27
    1-propoxy-2-propanol 299.08
    1-methoxy-2-propyl acetate 195.44
    2-(2-methoxypropoxy) propanol 176.72
    mesitylene 67.66
    ε-caprolactone 223.31
    p-cymene 64.86
    epichlorohydrin 308.95
    1,1,1-trichloroethane 235.37
    2-aminoethanol 119.32
    morpholine-4-carbaldehyde 225.5
    sulfolane 221.42
    2,2,4-trimethylpentane 20.12
    2-methyltetrahydrofuran 409.66
    n-hexyl acetate 148.44
    isooctane 20.01
    2-(2-butoxyethoxy)ethanol 255.13
    sec-butyl acetate 105.11
    tert-butyl acetate 142.49
    decalin 29.4
    glycerin 108.33
    diglyme 385.84
    acrylic acid 81.94
    isopropyl myristate 64.5
    n-butyric acid 232.58
    acetyl acetate 82.2
    di(2-ethylhexyl) phthalate 71.11
    ethyl propionate 94.79
    nitromethane 138.87
    1,2-diethoxyethane 252.32
    benzonitrile 135.47
    trioctyl phosphate 48.74
    1-bromopropane 189.82
    gamma-valerolactone 334.62
    n-decanol 64.29
    triethyl phosphate 59.64
    4-methyl-2-pentanol 120.0
    propionitrile 129.66
    vinylene carbonate 116.69
    1,1,2-trichlorotrifluoroethane 216.37
    DMS 84.0
    cumene 59.84
    2-octanol 67.13
    2-hexanone 168.0
    octyl acetate 76.21
    limonene 102.61
    1,2-dimethoxyethane 312.98
    ethyl orthosilicate 65.11
    tributyl phosphate 60.75
    diacetone alcohol 188.54
    N,N-dimethylaniline 92.17
    acrylonitrile 114.09
    aniline 140.72
    1,3-propanediol 185.23
    bromobenzene 126.32
    dibromomethane 268.98
    1,1,2,2-tetrachloroethane 365.55
    2-methyl-cyclohexyl acetate 133.09
    tetrabutyl urea 72.18
    diisobutyl methanol 97.95
    2-phenylethanol 155.56
    styrene 85.4
    dioctyl adipate 92.28
    dimethyl sulfate 42.72
    ethyl butyrate 135.79
    methyl lactate 62.48
    butyl lactate 103.56
    diethyl carbonate 78.16
    propanediol butyl ether 189.19
    triethyl orthoformate 104.89
    p-tert-butyltoluene 65.92
    methyl 4-tert-butylbenzoate 109.96
    morpholine 518.81
    tert-butylamine 253.37
    n-dodecanol 49.59
    dimethoxymethane 133.74
    ethylene carbonate 101.01
    cyrene 128.55
    2-ethoxyethyl acetate 144.32
    2-ethylhexyl acetate 158.59
    1,2,4-trichlorobenzene 132.0
    4-methylpyridine 223.98
    dibutyl ether 114.62
    2,6-dimethyl-4-heptanol 97.95
    DEF 132.98
    dimethyl isosorbide 252.97
    tetrachloroethylene 221.33
    eugenol 116.86
    triacetin 129.28
    span 80 178.37
    1,4-butanediol 79.94
    1,1-dichloroethane 264.76
    2-methyl-1-pentanol 172.53
    methyl formate 49.37
    2-methyl-1-butanol 197.63
    n-decane 14.53
    butyronitrile 191.16
    3,7-dimethyl-1-octanol 113.67
    1-chlorooctane 59.64
    1-chlorotetradecane 23.6
    n-nonane 14.53
    undecane 10.45
    tert-butylcyclohexane 30.77
    cyclooctane 19.96
    cyclopentanol 193.1
    tetrahydropyran 495.4
    tert-amyl methyl ether 148.45
    2,5,8-trioxanonane 258.59
    1-hexene 160.72
    2-isopropoxyethanol 170.47
    2,2,2-trifluoroethanol 33.0
    methyl butyrate 134.81

    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