4-Methylnonan-4-ol

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  • Identifiers

    CAS number
    23418-38-4

    Molecular formula
    C10H22O

    SMILES
    CCCCCC(C)(CCC)O

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 71.09%
    Fruity 65.48%
    Sweet 55.56%
    Citrus 52.6%
    Fresh 51.92%
    Herbal 49.58%
    Oily 49.45%
    Rose 47.8%
    Woody 45.98%
    Green 45.18%

     

    Flavor
    Floral 66.68%
    Green 62.7%
    Woody 48.18%
    Waxy 41.18%
    Sweet 41.02%
    Earthy 40.85%
    Oily 39.42%
    Citrus 39.12%
    Lily 38.7%
    Fresh 37.1%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    9.79 (weak base)

    Molecular weight
    158.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    198°C

    Flash point

    • 82.81 ˚C est.

  • Synonyms

    • 4-Methyl-4-nonanol
    • 4-Methylnonan-4-ol
    • 23418-38-4
    • EINECS 245-648-7
    • DTXSID101017019
    • NSC 103159
    • RefChem:525620
    • DTXCID201475206
    • 245-648-7
    • 4-Nonanol, 4-methyl-
    • MFCD00021848
    • NSC103159
    • 4-methyl-nonan-4-ol
    • SCHEMBL309728
    • n-Pentyl methyl n-propyl carbinol
    • AKOS028108534
    • NSC-103159
    • SB84198
    • AS-57404
    • DB-046142
    • CS-0128343
    • NS00050508
    • E81479
    • F620489
    • 23418-38-4

  • Applications

    4-Methylnonan-4-ol (CAS 23418-38-4) is primarily applied in the fragrance field, serving as an odorant and fragrance fixative in perfumery; it is commonly evaluated as a fragrance ingredient in cosmetics and personal care products; it is used in household products such as cleaners and detergents as part of fragrance formulations; in industrial manufacturing it is used as an intermediate for the synthesis of specialty fragrance chemicals and other aroma-related compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8965.12
    methanol 6808.08
    isopropanol 9450.94
    water 0.58
    ethyl acetate 3835.07
    n-propanol 7457.37
    acetone 4555.66
    n-butanol 8166.54
    acetonitrile 2972.96
    DMF 2499.26
    toluene 1447.46
    isobutanol 6587.08
    1,4-dioxane 6958.89
    methyl acetate 2504.03
    THF 10590.2
    2-butanone 3834.32
    n-pentanol 5197.74
    sec-butanol 7554.37
    n-hexane 7109.05
    ethylene glycol 489.04
    NMP 2046.87
    cyclohexane 5695.21
    DMSO 2523.41
    n-butyl acetate 6381.87
    n-octanol 3237.93
    chloroform 5964.52
    n-propyl acetate 2711.77
    acetic acid 2097.2
    dichloromethane 3956.28
    cyclohexanone 5589.67
    propylene glycol 1296.05
    isopropyl acetate 2851.92
    DMAc 1600.53
    2-ethoxyethanol 2818.22
    isopentanol 6708.72
    n-heptane 5970.76
    ethyl formate 1881.35
    1,2-dichloroethane 2704.57
    n-hexanol 10863.99
    2-methoxyethanol 4511.98
    isobutyl acetate 1793.64
    tetrachloromethane 1498.39
    n-pentyl acetate 2735.4
    transcutol 6199.84
    n-heptanol 3539.72
    ethylbenzene 995.87
    MIBK 2556.36
    2-propoxyethanol 6521.02
    tert-butanol 10511.43
    MTBE 8399.33
    2-butoxyethanol 3052.78
    propionic acid 2357.95
    o-xylene 886.33
    formic acid 398.51
    diethyl ether 8440.6
    m-xylene 1043.92
    p-xylene 1309.12
    chlorobenzene 1370.68
    dimethyl carbonate 373.67
    n-octane 1352.08
    formamide 419.9
    cyclopentanone 4131.89
    2-pentanone 4120.52
    anisole 1243.93
    cyclopentyl methyl ether 5034.09
    gamma-butyrolactone 3321.94
    1-methoxy-2-propanol 3985.79
    pyridine 3124.89
    3-pentanone 2364.98
    furfural 1873.08
    n-dodecane 615.04
    diethylene glycol 2029.02
    diisopropyl ether 3073.41
    tert-amyl alcohol 7443.83
    acetylacetone 1870.4
    n-hexadecane 688.95
    acetophenone 872.49
    methyl propionate 1952.45
    isopentyl acetate 5113.83
    trichloroethylene 3271.48
    n-nonanol 2599.59
    cyclohexanol 6105.61
    benzyl alcohol 1008.65
    2-ethylhexanol 6616.39
    isooctanol 2758.84
    dipropyl ether 8491.19
    1,2-dichlorobenzene 1044.73
    ethyl lactate 746.18
    propylene carbonate 1935.38
    n-methylformamide 1380.46
    2-pentanol 5989.31
    n-pentane 4338.67
    1-propoxy-2-propanol 5850.11
    1-methoxy-2-propyl acetate 2665.16
    2-(2-methoxypropoxy) propanol 1537.97
    mesitylene 814.14
    ε-caprolactone 4047.78
    p-cymene 1075.25
    epichlorohydrin 3546.1
    1,1,1-trichloroethane 2998.45
    2-aminoethanol 1724.31
    morpholine-4-carbaldehyde 2503.47
    sulfolane 2659.96
    2,2,4-trimethylpentane 1185.48
    2-methyltetrahydrofuran 8719.57
    n-hexyl acetate 3672.21
    isooctane 1111.14
    2-(2-butoxyethoxy)ethanol 2596.49
    sec-butyl acetate 1945.93
    tert-butyl acetate 2846.09
    decalin 1387.29
    glycerin 1070.44
    diglyme 3887.51
    acrylic acid 1105.26
    isopropyl myristate 1268.38
    n-butyric acid 5100.78
    acetyl acetate 1239.44
    di(2-ethylhexyl) phthalate 749.14
    ethyl propionate 1948.82
    nitromethane 1930.15
    1,2-diethoxyethane 4249.57
    benzonitrile 1549.48
    trioctyl phosphate 801.68
    1-bromopropane 4451.24
    gamma-valerolactone 4414.04
    n-decanol 1807.46
    triethyl phosphate 789.35
    4-methyl-2-pentanol 3207.29
    propionitrile 3622.86
    vinylene carbonate 1317.21
    1,1,2-trichlorotrifluoroethane 2008.03
    DMS 910.7
    cumene 752.05
    2-octanol 2519.64
    2-hexanone 3546.27
    octyl acetate 1498.11
    limonene 2597.19
    1,2-dimethoxyethane 5563.6
    ethyl orthosilicate 976.94
    tributyl phosphate 947.89
    diacetone alcohol 2354.03
    N,N-dimethylaniline 905.94
    acrylonitrile 2101.29
    aniline 1640.97
    1,3-propanediol 2972.16
    bromobenzene 1430.33
    dibromomethane 3858.56
    1,1,2,2-tetrachloroethane 3303.9
    2-methyl-cyclohexyl acetate 1958.15
    tetrabutyl urea 1137.44
    diisobutyl methanol 2640.52
    2-phenylethanol 1739.18
    styrene 1081.75
    dioctyl adipate 1258.6
    dimethyl sulfate 441.2
    ethyl butyrate 3260.12
    methyl lactate 712.63
    butyl lactate 1607.26
    diethyl carbonate 1402.87
    propanediol butyl ether 2307.68
    triethyl orthoformate 2274.31
    p-tert-butyltoluene 1099.36
    methyl 4-tert-butylbenzoate 1064.34
    morpholine 8219.39
    tert-butylamine 9171.83
    n-dodecanol 1361.31
    dimethoxymethane 2343.82
    ethylene carbonate 1631.84
    cyrene 871.56
    2-ethoxyethyl acetate 1939.36
    2-ethylhexyl acetate 4051.76
    1,2,4-trichlorobenzene 1073.91
    4-methylpyridine 3146.48
    dibutyl ether 5236.19
    2,6-dimethyl-4-heptanol 2640.52
    DEF 3085.21
    dimethyl isosorbide 2008.77
    tetrachloroethylene 2270.07
    eugenol 914.26
    triacetin 1349.47
    span 80 2018.37
    1,4-butanediol 1061.36
    1,1-dichloroethane 4036.05
    2-methyl-1-pentanol 3862.13
    methyl formate 825.17
    2-methyl-1-butanol 5706.91
    n-decane 1282.55
    butyronitrile 5869.55
    3,7-dimethyl-1-octanol 3059.57
    1-chlorooctane 2304.45
    1-chlorotetradecane 804.54
    n-nonane 1577.92
    undecane 842.6
    tert-butylcyclohexane 1423.74
    cyclooctane 1657.73
    cyclopentanol 5302.1
    tetrahydropyran 12053.28
    tert-amyl methyl ether 4837.2
    2,5,8-trioxanonane 2105.31
    1-hexene 9123.14
    2-isopropoxyethanol 2385.85
    2,2,2-trifluoroethanol 361.07
    methyl butyrate 2788.63

    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