3-Methyldecan-1-al

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  • Identifiers

    CAS number
    77772-07-7

    Molecular formula
    C11H22O

    SMILES
    CCCCCCCC(C)CC=O

    Safety labels

  • Odor profile

    Fragrance
    Citrus 80.72%
    Green 74.97%
    Waxy 67.49%
    Fatty 65.54%
    Aldehydic 63.96%
    Fresh 61.55%
    Floral 58.82%
    Orange 58.58%
    Sweet 54.26%
    Fruity 51.45%

     

    Flavor
    Waxy 70.89%
    Citrus 65.4%
    Aldehydic 58.65%
    Fresh 55.31%
    Floral 54.48%
    Green 51.1%
    Fat 46.44%
    Fatty 46.22%
    Orange 42.65%
    Soapy 40.06%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    7.44 (neutral)

    Molecular weight
    170.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    220°C

    Flash point

    • 88.07 ˚C est.

  • Synonyms

    • 3-Methyldecan-1-al
    • 77772-07-7
    • EINECS 278-767-8
    • 3-methyldecanal
    • SCHEMBL1067436
    • DTXSID10998964
    • QLWNBLGQVMVTEI-UHFFFAOYSA-N
    • NS00058130
    • 77772-07-7

  • Applications

    3-Methyldecan-1-al (CAS 77772-07-7) is primarily used in the fragrance industry as a long-chain odor component and may serve as an intermediate in the synthesis of other fragrance ingredients. In cosmetics and personal care, it can be used as a fragrance ingredient; in household products such as air fresheners and cleaners, it may be included at low concentrations to contribute scent. It is also employed as an intermediate in industrial manufacturing and in the development of fragrance chemicals and related specialty compounds. It may be used as a building block in polymer/plastics formulations where long-chain aldehydes are involved. Usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15527.99
    methanol 10893.95
    isopropanol 18359.0
    water 0.06
    ethyl acetate 12893.5
    n-propanol 13992.92
    acetone 22326.65
    n-butanol 12616.42
    acetonitrile 10153.68
    DMF 7844.34
    toluene 2928.82
    isobutanol 10314.26
    1,4-dioxane 11112.85
    methyl acetate 7053.1
    THF 19237.25
    2-butanone 14386.71
    n-pentanol 7308.09
    sec-butanol 11304.87
    n-hexane 5598.24
    ethylene glycol 586.4
    NMP 3915.78
    cyclohexane 5289.22
    DMSO 10039.58
    n-butyl acetate 10673.13
    n-octanol 1881.01
    chloroform 11920.1
    n-propyl acetate 8072.56
    acetic acid 4252.87
    dichloromethane 12137.94
    cyclohexanone 15605.54
    propylene glycol 1663.51
    isopropyl acetate 7746.58
    DMAc 3290.87
    2-ethoxyethanol 5252.08
    isopentanol 10301.97
    n-heptane 2113.26
    ethyl formate 4823.3
    1,2-dichloroethane 10917.24
    n-hexanol 8110.31
    2-methoxyethanol 9697.91
    isobutyl acetate 3917.46
    tetrachloromethane 2535.59
    n-pentyl acetate 3774.2
    transcutol 12650.11
    n-heptanol 2172.43
    ethylbenzene 1533.8
    MIBK 6183.29
    2-propoxyethanol 8052.72
    tert-butanol 17070.38
    MTBE 14548.09
    2-butoxyethanol 3231.2
    propionic acid 4817.97
    o-xylene 1375.52
    formic acid 573.05
    diethyl ether 18492.15
    m-xylene 1820.64
    p-xylene 1874.81
    chlorobenzene 3536.38
    dimethyl carbonate 832.61
    n-octane 529.48
    formamide 1105.18
    cyclopentanone 11894.67
    2-pentanone 14448.47
    anisole 2471.99
    cyclopentyl methyl ether 10695.55
    gamma-butyrolactone 8995.9
    1-methoxy-2-propanol 8528.68
    pyridine 8275.12
    3-pentanone 6836.14
    furfural 4799.56
    n-dodecane 199.94
    diethylene glycol 2786.53
    diisopropyl ether 4477.84
    tert-amyl alcohol 9531.52
    acetylacetone 6954.6
    n-hexadecane 244.17
    acetophenone 1855.66
    methyl propionate 6297.93
    isopentyl acetate 7663.09
    trichloroethylene 12730.15
    n-nonanol 1513.36
    cyclohexanol 10064.96
    benzyl alcohol 1899.99
    2-ethylhexanol 4604.96
    isooctanol 1774.96
    dipropyl ether 9382.25
    1,2-dichlorobenzene 2586.7
    ethyl lactate 1347.94
    propylene carbonate 4331.2
    n-methylformamide 4276.48
    2-pentanol 9658.56
    n-pentane 3248.14
    1-propoxy-2-propanol 7964.62
    1-methoxy-2-propyl acetate 5572.63
    2-(2-methoxypropoxy) propanol 1720.75
    mesitylene 1219.91
    ε-caprolactone 9149.92
    p-cymene 1023.36
    epichlorohydrin 11097.27
    1,1,1-trichloroethane 9849.84
    2-aminoethanol 2432.6
    morpholine-4-carbaldehyde 4824.58
    sulfolane 7444.02
    2,2,4-trimethylpentane 682.96
    2-methyltetrahydrofuran 17346.92
    n-hexyl acetate 4309.19
    isooctane 708.6
    2-(2-butoxyethoxy)ethanol 3035.87
    sec-butyl acetate 4863.22
    tert-butyl acetate 6575.84
    decalin 1077.43
    glycerin 1226.07
    diglyme 6117.5
    acrylic acid 2317.68
    isopropyl myristate 1248.31
    n-butyric acid 11428.35
    acetyl acetate 3464.44
    di(2-ethylhexyl) phthalate 672.95
    ethyl propionate 5691.49
    nitromethane 6784.14
    1,2-diethoxyethane 8631.17
    benzonitrile 3064.19
    trioctyl phosphate 626.62
    1-bromopropane 11085.83
    gamma-valerolactone 11999.36
    n-decanol 1018.24
    triethyl phosphate 1042.71
    4-methyl-2-pentanol 3815.54
    propionitrile 9062.9
    vinylene carbonate 3096.3
    1,1,2-trichlorotrifluoroethane 4533.09
    DMS 1615.04
    cumene 925.94
    2-octanol 1600.52
    2-hexanone 9088.95
    octyl acetate 1376.71
    limonene 2495.46
    1,2-dimethoxyethane 11080.46
    ethyl orthosilicate 1208.17
    tributyl phosphate 907.35
    diacetone alcohol 5197.52
    N,N-dimethylaniline 1200.99
    acrylonitrile 6654.2
    aniline 3563.41
    1,3-propanediol 4718.64
    bromobenzene 3780.32
    dibromomethane 10438.07
    1,1,2,2-tetrachloroethane 9945.4
    2-methyl-cyclohexyl acetate 2466.31
    tetrabutyl urea 1060.4
    diisobutyl methanol 2367.41
    2-phenylethanol 2259.91
    styrene 2163.18
    dioctyl adipate 1420.67
    dimethyl sulfate 1099.34
    ethyl butyrate 6165.91
    methyl lactate 1447.89
    butyl lactate 2108.64
    diethyl carbonate 2309.05
    propanediol butyl ether 2035.87
    triethyl orthoformate 2882.9
    p-tert-butyltoluene 988.85
    methyl 4-tert-butylbenzoate 1279.59
    morpholine 16340.23
    tert-butylamine 11556.44
    n-dodecanol 746.11
    dimethoxymethane 5888.02
    ethylene carbonate 3527.06
    cyrene 1101.34
    2-ethoxyethyl acetate 3575.75
    2-ethylhexyl acetate 5436.41
    1,2,4-trichlorobenzene 2523.28
    4-methylpyridine 8184.81
    dibutyl ether 5862.86
    2,6-dimethyl-4-heptanol 2367.41
    DEF 8835.12
    dimethyl isosorbide 2821.12
    tetrachloroethylene 6577.91
    eugenol 1157.28
    triacetin 1910.05
    span 80 1787.49
    1,4-butanediol 1394.71
    1,1-dichloroethane 14495.35
    2-methyl-1-pentanol 5183.77
    methyl formate 2250.56
    2-methyl-1-butanol 7973.8
    n-decane 476.86
    butyronitrile 12375.26
    3,7-dimethyl-1-octanol 2166.05
    1-chlorooctane 1730.66
    1-chlorotetradecane 485.64
    n-nonane 585.66
    undecane 294.25
    tert-butylcyclohexane 1062.53
    cyclooctane 1170.49
    cyclopentanol 8729.66
    tetrahydropyran 23555.07
    tert-amyl methyl ether 6984.89
    2,5,8-trioxanonane 2806.92
    1-hexene 12557.65
    2-isopropoxyethanol 3994.19
    2,2,2-trifluoroethanol 732.84
    methyl butyrate 8404.72

    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