2-Methyloctanal

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  • Identifiers

    CAS number
    7786-29-0

    Molecular formula
    C9H18O

    SMILES
    CCCCCCC(C)C=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 75.93%
    Citrus 74.96%
    Fresh 66.77%
    Fatty 66.62%
    Fruity 63.61%
    Waxy 63.06%
    Aldehydic 61.96%
    Sweet 60.99%
    Orange 60.61%
    Floral 54.81%

     

    Flavor
    Green 75.73%
    Citrus 65.87%
    Waxy 63.59%
    Aldehydic 63.38%
    Fresh 60.42%
    Floral 57.19%
    Fatty 54.72%
    Fat 48.7%
    Fruity 47.71%
    Orange 44.18%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.88 (neutral)

    Molecular weight
    142.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 82.00 to 83.00 °C. @ 20.00 mm Hg

    Flash point

    • 63.47 ˚C est.

    Solubility expt.

    • soluble in alcohol and most fixed oils; insoluble in water

  • Synonyms

    • 2-Methyloctanal
    • 7786-29-0
    • 2-Methyloctanaldehyde
    • alpha-Methyloctanal
    • OCTANAL, 2-METHYL-
    • Methyl hexyl acetaldehyde
    • Methylhexylacetaldehyde
    • FEMA No. 2727
    • 2-METHYL OCTANAL
    • EINECS 232-093-0
    • UNII-L193398KLN
    • L193398KLN
    • .ALPHA.-METHYLOCTANAL
    • 2-METHYLOCTANAL [FHFI]
    • DTXSID2052528
    • (+/-)-2-METHYLOCTANAL
    • 2-methyl-octanal
    • 2-Methyl-1-octanal
    • 2-Methyl- 1-octanal
    • SCHEMBL112654
    • DTXCID3031101
    • FEMA 2727
    • CHEBI:179603
    • AKOS006275491
    • NS00012905
    • A1-31717
    • Q27282585
    • 232-093-0

  • Applications

    2-Methyloctanal (CAS 7786-29-0) is a branched aliphatic aldehyde with primary applications in fragrance and cosmetic formulations; it is used as a fragrance/odorant ingredient in perfumes and personal care products and is commonly evaluated as a fragrance intermediate for the synthesis of other aroma compounds; in the food processing domain, it may be used as a flavor/aroma reagent or precursor in aroma development; in household products and cleaners, it can serve as an odorant additive to help impart or tune fragrance profiles; in industrial manufacturing, it may function as an intermediate in the synthesis of fragrance-related chemicals or as a building block for specialty aroma compounds; use is subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11849.15
    methanol 10678.87
    isopropanol 11770.32
    water 0.25
    ethyl acetate 12167.41
    n-propanol 10294.49
    acetone 15981.77
    n-butanol 10112.0
    acetonitrile 9235.56
    DMF 6988.89
    toluene 2711.93
    isobutanol 8266.04
    1,4-dioxane 8687.56
    methyl acetate 6942.78
    THF 12625.17
    2-butanone 11096.1
    n-pentanol 5975.63
    sec-butanol 8764.04
    n-hexane 4140.17
    ethylene glycol 652.03
    NMP 3761.09
    cyclohexane 3326.18
    DMSO 7026.21
    n-butyl acetate 11631.93
    n-octanol 1914.39
    chloroform 12283.41
    n-propyl acetate 7672.25
    acetic acid 4865.94
    dichloromethane 11267.72
    cyclohexanone 12246.47
    propylene glycol 1461.44
    isopropyl acetate 7152.38
    DMAc 2979.38
    2-ethoxyethanol 4545.01
    isopentanol 9075.76
    n-heptane 1596.95
    ethyl formate 5301.3
    1,2-dichloroethane 9024.45
    n-hexanol 7602.35
    2-methoxyethanol 7867.35
    isobutyl acetate 3865.55
    tetrachloromethane 3178.11
    n-pentyl acetate 3994.71
    transcutol 12262.16
    n-heptanol 2220.86
    ethylbenzene 1695.31
    MIBK 5262.88
    2-propoxyethanol 7371.08
    tert-butanol 12993.82
    MTBE 11953.93
    2-butoxyethanol 3319.61
    propionic acid 5211.18
    o-xylene 1377.56
    formic acid 865.97
    diethyl ether 12812.36
    m-xylene 1804.82
    p-xylene 2110.01
    chlorobenzene 3940.9
    dimethyl carbonate 959.11
    n-octane 465.15
    formamide 1471.48
    cyclopentanone 9556.96
    2-pentanone 11068.61
    anisole 2712.39
    cyclopentyl methyl ether 7709.22
    gamma-butyrolactone 8732.72
    1-methoxy-2-propanol 6352.61
    pyridine 7538.68
    3-pentanone 5549.76
    furfural 5440.45
    n-dodecane 193.38
    diethylene glycol 2805.22
    diisopropyl ether 3592.07
    tert-amyl alcohol 8609.53
    acetylacetone 6151.34
    n-hexadecane 229.32
    acetophenone 2087.22
    methyl propionate 5661.46
    isopentyl acetate 8319.32
    trichloroethylene 13018.79
    n-nonanol 1552.12
    cyclohexanol 7475.06
    benzyl alcohol 2068.34
    2-ethylhexanol 4853.24
    isooctanol 1897.28
    dipropyl ether 7460.17
    1,2-dichlorobenzene 3031.62
    ethyl lactate 1431.35
    propylene carbonate 4586.87
    n-methylformamide 4669.06
    2-pentanol 7296.11
    n-pentane 2212.56
    1-propoxy-2-propanol 7076.59
    1-methoxy-2-propyl acetate 5311.11
    2-(2-methoxypropoxy) propanol 1828.63
    mesitylene 1151.52
    ε-caprolactone 8422.85
    p-cymene 1174.72
    epichlorohydrin 9541.42
    1,1,1-trichloroethane 10045.07
    2-aminoethanol 2363.58
    morpholine-4-carbaldehyde 4577.99
    sulfolane 6756.08
    2,2,4-trimethylpentane 692.15
    2-methyltetrahydrofuran 12681.96
    n-hexyl acetate 4277.23
    isooctane 688.76
    2-(2-butoxyethoxy)ethanol 2944.4
    sec-butyl acetate 4565.02
    tert-butyl acetate 6045.22
    decalin 939.55
    glycerin 1317.69
    diglyme 5590.12
    acrylic acid 2942.91
    isopropyl myristate 1203.93
    n-butyric acid 11177.6
    acetyl acetate 3537.38
    di(2-ethylhexyl) phthalate 750.66
    ethyl propionate 5315.24
    nitromethane 7350.1
    1,2-diethoxyethane 7872.42
    benzonitrile 3931.32
    trioctyl phosphate 678.82
    1-bromopropane 8402.38
    gamma-valerolactone 10292.01
    n-decanol 1038.91
    triethyl phosphate 1120.09
    4-methyl-2-pentanol 3322.31
    propionitrile 8886.39
    vinylene carbonate 3740.21
    1,1,2-trichlorotrifluoroethane 4746.23
    DMS 1799.01
    cumene 1022.4
    2-octanol 1711.62
    2-hexanone 8026.23
    octyl acetate 1382.37
    limonene 2360.24
    1,2-dimethoxyethane 9419.45
    ethyl orthosilicate 1286.52
    tributyl phosphate 1024.54
    diacetone alcohol 4594.93
    N,N-dimethylaniline 1343.74
    acrylonitrile 7482.43
    aniline 3463.63
    1,3-propanediol 4235.21
    bromobenzene 4088.78
    dibromomethane 9547.85
    1,1,2,2-tetrachloroethane 9570.31
    2-methyl-cyclohexyl acetate 2561.23
    tetrabutyl urea 1099.05
    diisobutyl methanol 2435.84
    2-phenylethanol 2576.74
    styrene 2407.37
    dioctyl adipate 1431.7
    dimethyl sulfate 1190.42
    ethyl butyrate 6213.0
    methyl lactate 1452.57
    butyl lactate 2311.36
    diethyl carbonate 2591.25
    propanediol butyl ether 2242.94
    triethyl orthoformate 2995.45
    p-tert-butyltoluene 1093.4
    methyl 4-tert-butylbenzoate 1372.62
    morpholine 12090.06
    tert-butylamine 9453.48
    n-dodecanol 751.47
    dimethoxymethane 4778.84
    ethylene carbonate 3833.36
    cyrene 1116.93
    2-ethoxyethyl acetate 3708.23
    2-ethylhexyl acetate 6013.81
    1,2,4-trichlorobenzene 2960.01
    4-methylpyridine 7936.27
    dibutyl ether 4945.23
    2,6-dimethyl-4-heptanol 2435.84
    DEF 7892.16
    dimethyl isosorbide 2807.22
    tetrachloroethylene 7094.95
    eugenol 1393.45
    triacetin 2025.91
    span 80 1923.33
    1,4-butanediol 1388.94
    1,1-dichloroethane 12064.78
    2-methyl-1-pentanol 4923.94
    methyl formate 2694.61
    2-methyl-1-butanol 7116.85
    n-decane 424.21
    butyronitrile 11947.75
    3,7-dimethyl-1-octanol 2368.59
    1-chlorooctane 1592.46
    1-chlorotetradecane 454.46
    n-nonane 506.89
    undecane 272.47
    tert-butylcyclohexane 1011.19
    cyclooctane 813.28
    cyclopentanol 6526.13
    tetrahydropyran 15630.77
    tert-amyl methyl ether 6346.26
    2,5,8-trioxanonane 2647.32
    1-hexene 9851.73
    2-isopropoxyethanol 3574.27
    2,2,2-trifluoroethanol 1031.95
    methyl butyrate 8300.11

    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