6-Methyloctanal

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  • Identifiers

    CAS number
    30689-75-9

    Molecular formula
    C9H18O

    SMILES
    CCC(C)CCCCC=O

  • Odor profile

    Green 83.56%
    Citrus 77.94%
    Sweet 70.41%
    Fresh 69.08%
    Aldehydic 68.57%
    Fatty 64.56%
    Waxy 63.23%
    Floral 63.07%
    Orange 56.62%
    Rose 48.01%

    Scent© AI

  • Properties

    XLogP3-AA
    3.0

    Molecular weight
    142.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    187°C

    Flash point est.
    65.92 ˚C

    Solubility expt.

    • Slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 6-Methyloctanal
    • Octanal, 6-methyl-
    • 30689-75-9
    • 6-METHYL OCTANAL
    • (+/-)-6-Methyloctanal
    • UNII-369IPU68IF
    • 6-Methyloctanal, (+/-)-
    • FEMA No. 4433
    • 369IPU68IF
    • DTXSID40952933
    • SCHEMBL1410631
    • DTXCID501381000
    • AKOS028113992
    • NS00120157
    • Q27256543
    • 608-512-1

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8189.19
    methanol 7829.72
    isopropanol 7410.1
    water 0.22
    ethyl acetate 8095.31
    n-propanol 7286.56
    acetone 12192.48
    n-butanol 6812.24
    acetonitrile 5790.75
    DMF 5360.92
    toluene 2036.05
    isobutanol 5125.88
    1,4-dioxane 6682.89
    methyl acetate 5013.25
    THF 10943.12
    2-butanone 9377.61
    n-pentanol 3904.7
    sec-butanol 5456.85
    n-hexane 1980.43
    ethylene glycol 629.83
    NMP 3652.45
    cyclohexane 1572.07
    DMSO 8574.65
    n-butyl acetate 6951.33
    n-octanol 1106.64
    chloroform 8189.4
    n-propyl acetate 5319.0
    acetic acid 3343.21
    dichloromethane 8127.79
    cyclohexanone 9473.18
    propylene glycol 1379.24
    isopropyl acetate 4469.06
    DMAc 2386.4
    2-ethoxyethanol 3723.01
    isopentanol 5536.53
    n-heptane 650.48
    ethyl formate 3285.44
    1,2-dichloroethane 6818.67
    n-hexanol 4545.7
    2-methoxyethanol 6237.66
    isobutyl acetate 2533.28
    tetrachloromethane 2069.57
    n-pentyl acetate 2382.69
    transcutol 11470.1
    n-heptanol 1239.85
    ethylbenzene 1176.44
    MIBK 3595.51
    2-propoxyethanol 5436.57
    tert-butanol 7790.09
    MTBE 7542.96
    2-butoxyethanol 2225.64
    propionic acid 4042.87
    o-xylene 1079.19
    formic acid 751.97
    diethyl ether 8174.81
    m-xylene 1379.0
    p-xylene 1356.81
    chlorobenzene 2881.23
    dimethyl carbonate 789.03
    n-octane 189.71
    formamide 1364.86
    cyclopentanone 9511.91
    2-pentanone 8430.61
    anisole 2119.36
    cyclopentyl methyl ether 6810.24
    gamma-butyrolactone 8206.4
    1-methoxy-2-propanol 5106.59
    pyridine 5838.48
    3-pentanone 4518.43
    furfural 4736.71
    n-dodecane 82.12
    diethylene glycol 2276.28
    diisopropyl ether 2111.61
    tert-amyl alcohol 5649.48
    acetylacetone 4775.69
    n-hexadecane 99.51
    acetophenone 1611.13
    methyl propionate 4433.84
    isopentyl acetate 4825.69
    trichloroethylene 9905.86
    n-nonanol 905.26
    cyclohexanol 5486.1
    benzyl alcohol 1625.53
    2-ethylhexanol 2620.26
    isooctanol 1061.95
    dipropyl ether 4063.86
    1,2-dichlorobenzene 2251.02
    ethyl lactate 1074.62
    propylene carbonate 3567.26
    n-methylformamide 4033.65
    2-pentanol 4422.39
    n-pentane 1030.63
    1-propoxy-2-propanol 4881.59
    1-methoxy-2-propyl acetate 3975.92
    2-(2-methoxypropoxy) propanol 1420.74
    mesitylene 874.31
    ε-caprolactone 6546.27
    p-cymene 735.36
    epichlorohydrin 8519.4
    1,1,1-trichloroethane 6901.61
    2-aminoethanol 2152.09
    morpholine-4-carbaldehyde 3983.78
    sulfolane 7592.93
    2,2,4-trimethylpentane 381.25
    2-methyltetrahydrofuran 11226.3
    n-hexyl acetate 2779.07
    isooctane 352.35
    2-(2-butoxyethoxy)ethanol 2356.36
    sec-butyl acetate 3003.88
    tert-butyl acetate 4284.78
    decalin 551.22
    glycerin 1216.61
    diglyme 4519.38
    acrylic acid 2378.7
    isopropyl myristate 766.18
    n-butyric acid 7391.46
    acetyl acetate 2252.37
    di(2-ethylhexyl) phthalate 537.25
    ethyl propionate 3821.15
    nitromethane 5860.59
    1,2-diethoxyethane 5659.86
    benzonitrile 2559.49
    trioctyl phosphate 472.83
    1-bromopropane 4971.58
    gamma-valerolactone 8813.96
    n-decanol 632.7
    triethyl phosphate 811.61
    4-methyl-2-pentanol 1991.16
    propionitrile 5550.67
    vinylene carbonate 2750.0
    1,1,2-trichlorotrifluoroethane 4085.73
    DMS 1351.72
    cumene 717.39
    2-octanol 940.69
    2-hexanone 5859.06
    octyl acetate 918.33
    limonene 1476.56
    1,2-dimethoxyethane 6454.85
    ethyl orthosilicate 922.32
    tributyl phosphate 716.91
    diacetone alcohol 3890.19
    N,N-dimethylaniline 1020.46
    acrylonitrile 4964.53
    aniline 2847.19
    1,3-propanediol 3396.15
    bromobenzene 2996.35
    dibromomethane 6331.33
    1,1,2,2-tetrachloroethane 7259.0
    2-methyl-cyclohexyl acetate 1763.47
    tetrabutyl urea 763.71
    diisobutyl methanol 1384.19
    2-phenylethanol 1866.49
    styrene 1645.51
    dioctyl adipate 1010.89
    dimethyl sulfate 1107.38
    ethyl butyrate 3879.99
    methyl lactate 1201.12
    butyl lactate 1508.26
    diethyl carbonate 1618.14
    propanediol butyl ether 1649.01
    triethyl orthoformate 1939.94
    p-tert-butyltoluene 703.4
    methyl 4-tert-butylbenzoate 1048.9
    morpholine 9707.18
    tert-butylamine 5427.49
    n-dodecanol 455.28
    dimethoxymethane 3551.6
    ethylene carbonate 2632.79
    cyrene 933.81
    2-ethoxyethyl acetate 2706.47
    2-ethylhexyl acetate 3547.18
    1,2,4-trichlorobenzene 2346.3
    4-methylpyridine 5715.39
    dibutyl ether 2744.8
    2,6-dimethyl-4-heptanol 1384.19
    DEF 5544.68
    dimethyl isosorbide 2322.35
    tetrachloroethylene 5066.41
    eugenol 1003.3
    triacetin 1456.75
    span 80 1440.73
    1,4-butanediol 1077.98
    1,1-dichloroethane 8024.87
    2-methyl-1-pentanol 3197.34
    methyl formate 2173.55
    2-methyl-1-butanol 4833.96
    n-decane 184.27
    butyronitrile 6798.69
    3,7-dimethyl-1-octanol 1429.94
    1-chlorooctane 912.25
    1-chlorotetradecane 248.73
    n-nonane 215.65
    undecane 117.62
    tert-butylcyclohexane 584.0
    cyclooctane 421.94
    cyclopentanol 5556.13
    tetrahydropyran 11613.2
    tert-amyl methyl ether 4124.12
    2,5,8-trioxanonane 2187.67
    1-hexene 5142.86
    2-isopropoxyethanol 2677.42
    2,2,2-trifluoroethanol 762.72
    methyl butyrate 5426.19

    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