4-Methyl-6-acetylhexanal

Overview IFRA Botanical Request a quote

  • Identifiers

    SMILES
    CC(CCC=O)CCC(C)=O

  • Odor profile

    Fruity 47.92%
    Fresh 42.1%
    Fatty 38.31%
    Green 36.93%
    Sweet 36.01%
    Floral 34.81%
    Earthy 33.57%
    Citrus 33.12%
    Herbal 32.42%
    Aldehydic 31.91%

    Scent© AI

  • Properties

    pKa est.
    8.1 (weak base)

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    243°C

    Flash point est.
    93.84 ˚C

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 912.23
    methanol 1288.45
    isopropanol 697.97
    water 4.09
    ethyl acetate 349.82
    n-propanol 546.26
    acetone 646.51
    n-butanol 453.27
    acetonitrile 379.55
    DMF 644.94
    toluene 102.76
    isobutanol 355.42
    1,4-dioxane 587.5
    methyl acetate 372.18
    THF 703.13
    2-butanone 412.42
    n-pentanol 261.86
    sec-butanol 376.11
    n-hexane 12.01
    ethylene glycol 252.24
    NMP 374.94
    cyclohexane 16.31
    DMSO 549.08
    n-butyl acetate 225.5
    n-octanol 119.66
    chloroform 637.69
    n-propyl acetate 169.16
    acetic acid 561.31
    dichloromethane 473.36
    cyclohexanone 489.12
    propylene glycol 395.82
    isopropyl acetate 213.06
    DMAc 452.7
    2-ethoxyethanol 402.65
    isopentanol 335.61
    n-heptane 10.36
    ethyl formate 271.94
    1,2-dichloroethane 271.8
    n-hexanol 318.83
    2-methoxyethanol 831.9
    isobutyl acetate 130.11
    tetrachloromethane 79.79
    n-pentyl acetate 121.26
    transcutol 969.16
    n-heptanol 113.97
    ethylbenzene 65.18
    MIBK 182.98
    2-propoxyethanol 520.9
    tert-butanol 652.48
    MTBE 254.64
    2-butoxyethanol 227.29
    propionic acid 446.63
    o-xylene 84.0
    formic acid 246.41
    diethyl ether 180.47
    m-xylene 98.01
    p-xylene 88.7
    chlorobenzene 172.73
    dimethyl carbonate 77.35
    n-octane 5.85
    formamide 223.67
    cyclopentanone 508.05
    2-pentanone 294.3
    anisole 179.0
    cyclopentyl methyl ether 235.94
    gamma-butyrolactone 545.91
    1-methoxy-2-propanol 596.47
    pyridine 356.16
    3-pentanone 161.35
    furfural 517.23
    n-dodecane 6.63
    diethylene glycol 445.36
    diisopropyl ether 51.35
    tert-amyl alcohol 360.12
    acetylacetone 322.21
    n-hexadecane 7.41
    acetophenone 161.51
    methyl propionate 233.17
    isopentyl acetate 216.05
    trichloroethylene 592.84
    n-nonanol 97.61
    cyclohexanol 295.06
    benzyl alcohol 202.64
    2-ethylhexanol 137.35
    isooctanol 92.12
    dipropyl ether 100.64
    1,2-dichlorobenzene 149.57
    ethyl lactate 115.88
    propylene carbonate 291.38
    n-methylformamide 389.34
    2-pentanol 239.91
    n-pentane 9.11
    1-propoxy-2-propanol 329.2
    1-methoxy-2-propyl acetate 255.68
    2-(2-methoxypropoxy) propanol 218.7
    mesitylene 58.79
    ε-caprolactone 391.41
    p-cymene 52.32
    epichlorohydrin 529.77
    1,1,1-trichloroethane 315.69
    2-aminoethanol 453.79
    morpholine-4-carbaldehyde 486.13
    sulfolane 476.13
    2,2,4-trimethylpentane 10.17
    2-methyltetrahydrofuran 438.78
    n-hexyl acetate 186.84
    isooctane 10.29
    2-(2-butoxyethoxy)ethanol 283.99
    sec-butyl acetate 127.76
    tert-butyl acetate 214.95
    decalin 15.15
    glycerin 425.97
    diglyme 464.07
    acrylic acid 344.98
    isopropyl myristate 71.06
    n-butyric acid 566.97
    acetyl acetate 204.96
    di(2-ethylhexyl) phthalate 84.7
    ethyl propionate 143.26
    nitromethane 609.53
    1,2-diethoxyethane 229.76
    benzonitrile 245.67
    trioctyl phosphate 60.49
    1-bromopropane 155.92
    gamma-valerolactone 704.89
    n-decanol 72.04
    triethyl phosphate 69.59
    4-methyl-2-pentanol 140.18
    propionitrile 335.06
    vinylene carbonate 294.74
    1,1,2-trichlorotrifluoroethane 408.9
    DMS 147.51
    cumene 51.39
    2-octanol 79.5
    2-hexanone 194.37
    octyl acetate 89.51
    limonene 75.94
    1,2-dimethoxyethane 483.03
    ethyl orthosilicate 68.87
    tributyl phosphate 74.76
    diacetone alcohol 320.03
    N,N-dimethylaniline 105.16
    acrylonitrile 380.46
    aniline 216.07
    1,3-propanediol 573.0
    bromobenzene 155.09
    dibromomethane 288.95
    1,1,2,2-tetrachloroethane 446.25
    2-methyl-cyclohexyl acetate 125.79
    tetrabutyl urea 92.8
    diisobutyl methanol 85.22
    2-phenylethanol 198.37
    styrene 86.78
    dioctyl adipate 110.3
    dimethyl sulfate 121.67
    ethyl butyrate 144.63
    methyl lactate 180.26
    butyl lactate 129.86
    diethyl carbonate 100.9
    propanediol butyl ether 269.88
    triethyl orthoformate 101.83
    p-tert-butyltoluene 54.05
    methyl 4-tert-butylbenzoate 152.06
    morpholine 656.07
    tert-butylamine 290.23
    n-dodecanol 54.47
    dimethoxymethane 268.73
    ethylene carbonate 238.73
    cyrene 181.68
    2-ethoxyethyl acetate 185.94
    2-ethylhexyl acetate 141.84
    1,2,4-trichlorobenzene 182.06
    4-methylpyridine 371.53
    dibutyl ether 95.32
    2,6-dimethyl-4-heptanol 85.22
    DEF 258.57
    dimethyl isosorbide 314.76
    tetrachloroethylene 288.42
    eugenol 173.41
    triacetin 201.6
    span 80 197.06
    1,4-butanediol 201.83
    1,1-dichloroethane 401.73
    2-methyl-1-pentanol 198.01
    methyl formate 267.7
    2-methyl-1-butanol 270.75
    n-decane 10.47
    butyronitrile 345.09
    3,7-dimethyl-1-octanol 122.92
    1-chlorooctane 53.19
    1-chlorotetradecane 22.19
    n-nonane 9.48
    undecane 8.02
    tert-butylcyclohexane 18.08
    cyclooctane 5.76
    cyclopentanol 357.04
    tetrahydropyran 432.31
    tert-amyl methyl ether 159.84
    2,5,8-trioxanonane 319.62
    1-hexene 74.13
    2-isopropoxyethanol 273.03
    2,2,2-trifluoroethanol 164.51
    methyl butyrate 211.73

    Scent© AI

1 3

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
Zanthoxylum avicennae (China) Zanthoxylum avicennae (Lam.) DC., fam. Rutaceae 0.85%