4-Methyldecan-1-al

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  • Identifiers

    CAS number
    80699-63-4

    Molecular formula
    C11H22O

    SMILES
    CCCCCCC(C)CCC=O

    Safety labels

  • Odor profile

    Fragrance
    Citrus 82.09%
    Waxy 72.58%
    Green 69.44%
    Fatty 67.78%
    Aldehydic 66.88%
    Fresh 64.09%
    Floral 63.97%
    Orange 61.84%
    Sweet 60.04%
    Fruity 51.73%

     

    Flavor
    Waxy 73.59%
    Citrus 68.31%
    Aldehydic 63.93%
    Fresh 58.31%
    Floral 55.04%
    Green 52.52%
    Fatty 48.15%
    Fat 46.88%
    Orange 44.13%
    Rose 43.37%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    7.62 (neutral)

    Molecular weight
    170.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    223°C

    Flash point

    • 91.14 ˚C est.

  • Synonyms

    • 4-Methyldecan-1-al
    • 80699-63-4
    • EINECS 279-532-2
    • 4-methyldecanal
    • SCHEMBL1783042
    • SCHEMBL1826414
    • UASJZAYRKLUVLT-UHFFFAOYSA-N
    • DTXSID101001422
    • NS00062517
    • 80699-63-4

  • Applications

    4-Methyldecan-1-al (CAS 80699-63-4) is mainly used as a fragrance ingredient and a building block for synthesis of scent compounds in the fragrance industry; in cosmetics and personal care it can serve as a fragrance component; in household and cleaning products, such as surface cleaners and laundry products, it may be included to contribute odor; in the food and beverage sector it may be used as a flavor/aroma intermediate when permitted by regulations; in industrial manufacturing it functions as a precursor or building block for more complex aroma compounds; subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13688.09
    methanol 10228.87
    isopropanol 13953.39
    water 0.07
    ethyl acetate 11916.02
    n-propanol 11989.13
    acetone 16667.19
    n-butanol 11208.71
    acetonitrile 8054.7
    DMF 6564.31
    toluene 2777.69
    isobutanol 8387.0
    1,4-dioxane 10172.46
    methyl acetate 6244.04
    THF 15560.75
    2-butanone 12049.24
    n-pentanol 6321.83
    sec-butanol 9322.12
    n-hexane 3774.52
    ethylene glycol 591.64
    NMP 2713.42
    cyclohexane 3533.46
    DMSO 7832.15
    n-butyl acetate 9509.28
    n-octanol 1458.16
    chloroform 9964.8
    n-propyl acetate 7110.34
    acetic acid 3158.37
    dichloromethane 9674.61
    cyclohexanone 11683.88
    propylene glycol 1451.52
    isopropyl acetate 7159.37
    DMAc 2816.91
    2-ethoxyethanol 5229.08
    isopentanol 9216.98
    n-heptane 1373.84
    ethyl formate 4279.78
    1,2-dichloroethane 9266.16
    n-hexanol 7210.61
    2-methoxyethanol 9073.55
    isobutyl acetate 3542.73
    tetrachloromethane 2094.59
    n-pentyl acetate 3116.64
    transcutol 11813.17
    n-heptanol 1892.27
    ethylbenzene 1413.54
    MIBK 5292.97
    2-propoxyethanol 7714.94
    tert-butanol 13854.11
    MTBE 13167.69
    2-butoxyethanol 3062.44
    propionic acid 3740.57
    o-xylene 1243.5
    formic acid 529.65
    diethyl ether 16716.62
    m-xylene 1728.4
    p-xylene 1614.91
    chlorobenzene 2996.54
    dimethyl carbonate 728.26
    n-octane 349.6
    formamide 951.49
    cyclopentanone 8816.27
    2-pentanone 11964.37
    anisole 2372.39
    cyclopentyl methyl ether 8504.52
    gamma-butyrolactone 6777.82
    1-methoxy-2-propanol 7579.62
    pyridine 7309.68
    3-pentanone 5586.89
    furfural 3918.11
    n-dodecane 135.14
    diethylene glycol 2832.07
    diisopropyl ether 3788.58
    tert-amyl alcohol 7611.17
    acetylacetone 5874.41
    n-hexadecane 164.1
    acetophenone 1650.3
    methyl propionate 5502.12
    isopentyl acetate 6863.35
    trichloroethylene 10303.57
    n-nonanol 1172.63
    cyclohexanol 7583.33
    benzyl alcohol 1824.58
    2-ethylhexanol 4016.16
    isooctanol 1513.74
    dipropyl ether 7963.81
    1,2-dichlorobenzene 2127.93
    ethyl lactate 1259.97
    propylene carbonate 3311.41
    n-methylformamide 3576.43
    2-pentanol 8026.48
    n-pentane 2311.38
    1-propoxy-2-propanol 7203.23
    1-methoxy-2-propyl acetate 5105.05
    2-(2-methoxypropoxy) propanol 1509.84
    mesitylene 1066.42
    ε-caprolactone 7196.3
    p-cymene 867.81
    epichlorohydrin 9572.18
    1,1,1-trichloroethane 7850.74
    2-aminoethanol 2340.68
    morpholine-4-carbaldehyde 4174.11
    sulfolane 5067.02
    2,2,4-trimethylpentane 540.19
    2-methyltetrahydrofuran 13765.48
    n-hexyl acetate 3338.57
    isooctane 555.28
    2-(2-butoxyethoxy)ethanol 2697.27
    sec-butyl acetate 4367.65
    tert-butyl acetate 5884.44
    decalin 783.14
    glycerin 1167.51
    diglyme 5547.98
    acrylic acid 1831.97
    isopropyl myristate 971.57
    n-butyric acid 9224.03
    acetyl acetate 3024.15
    di(2-ethylhexyl) phthalate 556.91
    ethyl propionate 5259.28
    nitromethane 5126.82
    1,2-diethoxyethane 7818.48
    benzonitrile 2754.87
    trioctyl phosphate 512.63
    1-bromopropane 9297.96
    gamma-valerolactone 9426.44
    n-decanol 793.24
    triethyl phosphate 925.77
    4-methyl-2-pentanol 3281.34
    propionitrile 8110.38
    vinylene carbonate 2478.79
    1,1,2-trichlorotrifluoroethane 3756.87
    DMS 1355.76
    cumene 817.61
    2-octanol 1263.72
    2-hexanone 7527.39
    octyl acetate 1069.47
    limonene 1952.9
    1,2-dimethoxyethane 10675.24
    ethyl orthosilicate 1105.33
    tributyl phosphate 754.66
    diacetone alcohol 4459.92
    N,N-dimethylaniline 1113.55
    acrylonitrile 5854.15
    aniline 3270.87
    1,3-propanediol 4429.01
    bromobenzene 3209.17
    dibromomethane 8470.17
    1,1,2,2-tetrachloroethane 7909.96
    2-methyl-cyclohexyl acetate 2077.6
    tetrabutyl urea 843.33
    diisobutyl methanol 2007.83
    2-phenylethanol 2173.92
    styrene 2002.24
    dioctyl adipate 1146.87
    dimethyl sulfate 868.27
    ethyl butyrate 5416.83
    methyl lactate 1247.19
    butyl lactate 1732.58
    diethyl carbonate 2058.13
    propanediol butyl ether 1751.42
    triethyl orthoformate 2597.85
    p-tert-butyltoluene 848.62
    methyl 4-tert-butylbenzoate 1095.19
    morpholine 14925.07
    tert-butylamine 9483.89
    n-dodecanol 582.57
    dimethoxymethane 5430.26
    ethylene carbonate 2829.93
    cyrene 961.81
    2-ethoxyethyl acetate 3158.81
    2-ethylhexyl acetate 4813.81
    1,2,4-trichlorobenzene 2039.37
    4-methylpyridine 7218.78
    dibutyl ether 4484.25
    2,6-dimethyl-4-heptanol 2007.83
    DEF 7395.22
    dimethyl isosorbide 2351.01
    tetrachloroethylene 5439.06
    eugenol 1026.52
    triacetin 1572.56
    span 80 1483.16
    1,4-butanediol 1303.17
    1,1-dichloroethane 11888.28
    2-methyl-1-pentanol 4632.13
    methyl formate 1827.17
    2-methyl-1-butanol 6940.55
    n-decane 316.4
    butyronitrile 10735.23
    3,7-dimethyl-1-octanol 1785.84
    1-chlorooctane 1260.93
    1-chlorotetradecane 351.5
    n-nonane 381.16
    undecane 196.07
    tert-butylcyclohexane 801.16
    cyclooctane 814.3
    cyclopentanol 6212.73
    tetrahydropyran 19236.8
    tert-amyl methyl ether 6305.09
    2,5,8-trioxanonane 2448.04
    1-hexene 9632.94
    2-isopropoxyethanol 3799.33
    2,2,2-trifluoroethanol 548.14
    methyl butyrate 7401.63

    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