2-(1-Methylnonyl)phenol

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  • Identifiers

    CAS number
    4338-64-1

    Molecular formula
    C16H26O

    SMILES
    CCCCCCCCC(C)C1=CC=CC=C1O

    Safety labels

  • Odor profile

    Fragrance
    Spicy 50.39%
    Phenolic 39.95%
    Burnt 30.0%
    Waxy 29.31%
    Balsamic 28.54%
    Smoky 27.95%
    Animal 26.96%
    Herbal 25.8%
    Leathery 24.77%
    Woody 22.59%

     

    Flavor
    Spice 26.18%
    Mild 25.85%
    Herbal 25.77%
    Woody 25.1%
    Creosote 22.57%
    Thymol 21.63%
    Delicate 20.78%
    Terpentine 20.34%
    Slightly waxy 20.25%
    Syrup 20.19%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.7

    pKa est.
    9.27 (weak base)

    Molecular weight
    234.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    310°C

    Flash point

    • 148.74 ˚C est.

  • Synonyms

    • 2-(1-Methylnonyl)phenol
    • 4338-64-1
    • RefChem:1060661
    • 224-390-9
    • o-(1-Methyl-N-nonyl)phenol
    • Phenol, o-(1-methylnonyl)-
    • Phenol, 2-(1-methylnonyl)-
    • Phenol,2-(1-methylnonyl)-
    • 2-(2-Decyl)phenol
    • sec-Decylphenol
    • 2-(decan-2-yl)phenol
    • EINECS 224-390-9
    • NSC 202834
    • BRN 2098335
    • s-decylphenol
    • EINECS 299-460-5
    • 4-06-00-03523 (Beilstein Handbook Reference)
    • SCHEMBL982149
    • WLN: QR BY8&1
    • YYUUSAFRJJBDDU-UHFFFAOYSA-N
    • NSC202834
    • NSC-202834
    • 93891-77-1
    • DS-012168
    • NS00046395
    • 4338-64-1

  • Applications

    2-(1-Methylnonyl)phenol (CAS 4338-64-1) is primarily used as an intermediate in the synthesis of alkylphenol-based additives for industrial polymers and coatings, notably as a precursor to antioxidants and light stabilizers for plastics; it can also serve in the manufacture of nonionic surfactants and wetting agents used in cleaners and industrial formulations; in coatings, inks and adhesives, it functions as a chemical building block for resin formulations and formulation aids; the compound may also be encountered as an odor-active ingredient or fragrance intermediate in perfumery applications, subject to regulatory limits and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 42202.82
    methanol 21057.19
    isopropanol 37164.09
    water 0.02
    ethyl acetate 36057.94
    n-propanol 37869.41
    acetone 58983.34
    n-butanol 27093.88
    acetonitrile 21621.81
    DMF 29041.4
    toluene 6149.32
    isobutanol 23597.2
    1,4-dioxane 29040.98
    methyl acetate 20786.26
    THF 42508.65
    2-butanone 36885.6
    n-pentanol 10587.28
    sec-butanol 22497.38
    n-hexane 3778.52
    ethylene glycol 349.79
    NMP 7676.77
    cyclohexane 5194.97
    DMSO 17471.28
    n-butyl acetate 20841.32
    n-octanol 2134.94
    chloroform 17371.48
    n-propyl acetate 15441.35
    acetic acid 4395.86
    dichloromethane 24202.93
    cyclohexanone 28121.39
    propylene glycol 1296.05
    isopropyl acetate 17546.45
    DMAc 10178.15
    2-ethoxyethanol 9835.25
    isopentanol 17167.56
    n-heptane 1366.78
    ethyl formate 9505.71
    1,2-dichloroethane 25084.42
    n-hexanol 12352.75
    2-methoxyethanol 19619.17
    isobutyl acetate 7190.62
    tetrachloromethane 2841.77
    n-pentyl acetate 6803.7
    transcutol 21442.36
    n-heptanol 2715.71
    ethylbenzene 1971.41
    MIBK 11597.18
    2-propoxyethanol 15633.96
    tert-butanol 28859.48
    MTBE 49079.93
    2-butoxyethanol 4998.26
    propionic acid 6976.64
    o-xylene 1882.92
    formic acid 371.14
    diethyl ether 68859.34
    m-xylene 2794.89
    p-xylene 2242.28
    chlorobenzene 5675.66
    dimethyl carbonate 2409.63
    n-octane 427.24
    formamide 1528.43
    cyclopentanone 23883.66
    2-pentanone 35538.55
    anisole 4687.38
    cyclopentyl methyl ether 20361.99
    gamma-butyrolactone 16473.2
    1-methoxy-2-propanol 15617.85
    pyridine 18473.07
    3-pentanone 16975.42
    furfural 6088.88
    n-dodecane 191.32
    diethylene glycol 2780.31
    diisopropyl ether 9941.22
    tert-amyl alcohol 15780.89
    acetylacetone 13605.48
    n-hexadecane 239.16
    acetophenone 2706.86
    methyl propionate 16835.4
    isopentyl acetate 13211.82
    trichloroethylene 23317.55
    n-nonanol 1783.06
    cyclohexanol 11955.4
    benzyl alcohol 2401.83
    2-ethylhexanol 4975.55
    isooctanol 2287.0
    dipropyl ether 18389.91
    1,2-dichlorobenzene 3317.32
    ethyl lactate 1602.01
    propylene carbonate 6336.36
    n-methylformamide 11282.53
    2-pentanol 17089.16
    n-pentane 3321.33
    1-propoxy-2-propanol 11353.04
    1-methoxy-2-propyl acetate 8820.79
    2-(2-methoxypropoxy) propanol 1870.62
    mesitylene 1470.27
    ε-caprolactone 16062.1
    p-cymene 979.18
    epichlorohydrin 26449.95
    1,1,1-trichloroethane 14870.6
    2-aminoethanol 2977.54
    morpholine-4-carbaldehyde 8904.25
    sulfolane 10351.81
    2,2,4-trimethylpentane 651.21
    2-methyltetrahydrofuran 35984.53
    n-hexyl acetate 6773.19
    isooctane 671.89
    2-(2-butoxyethoxy)ethanol 4013.3
    sec-butyl acetate 7883.42
    tert-butyl acetate 12785.62
    decalin 813.31
    glycerin 782.84
    diglyme 10402.06
    acrylic acid 2337.98
    isopropyl myristate 1679.12
    n-butyric acid 17154.13
    acetyl acetate 5610.04
    di(2-ethylhexyl) phthalate 694.3
    ethyl propionate 10533.32
    nitromethane 13007.32
    1,2-diethoxyethane 20803.98
    benzonitrile 4436.51
    trioctyl phosphate 716.53
    1-bromopropane 23425.94
    gamma-valerolactone 23185.14
    n-decanol 1175.73
    triethyl phosphate 1183.41
    4-methyl-2-pentanol 5207.57
    propionitrile 23568.39
    vinylene carbonate 4501.86
    1,1,2-trichlorotrifluoroethane 5124.06
    DMS 2683.67
    cumene 970.01
    2-octanol 1828.98
    2-hexanone 15407.87
    octyl acetate 2069.4
    limonene 2404.03
    1,2-dimethoxyethane 23749.63
    ethyl orthosilicate 1383.26
    tributyl phosphate 1013.56
    diacetone alcohol 7851.28
    N,N-dimethylaniline 1814.13
    acrylonitrile 14038.57
    aniline 6647.1
    1,3-propanediol 6755.65
    bromobenzene 5915.11
    dibromomethane 17293.94
    1,1,2,2-tetrachloroethane 16489.95
    2-methyl-cyclohexyl acetate 2834.82
    tetrabutyl urea 1284.59
    diisobutyl methanol 2183.4
    2-phenylethanol 2825.9
    styrene 3097.92
    dioctyl adipate 1649.67
    dimethyl sulfate 2198.23
    ethyl butyrate 9725.51
    methyl lactate 1996.62
    butyl lactate 2553.14
    diethyl carbonate 3338.34
    propanediol butyl ether 2248.4
    triethyl orthoformate 3816.32
    p-tert-butyltoluene 984.83
    methyl 4-tert-butylbenzoate 1580.07
    morpholine 49110.62
    tert-butylamine 20167.1
    n-dodecanol 825.2
    dimethoxymethane 24219.99
    ethylene carbonate 5575.91
    cyrene 1149.72
    2-ethoxyethyl acetate 6676.1
    2-ethylhexyl acetate 8424.88
    1,2,4-trichlorobenzene 3076.41
    4-methylpyridine 18793.77
    dibutyl ether 9129.1
    2,6-dimethyl-4-heptanol 2183.4
    DEF 23642.85
    dimethyl isosorbide 3082.3
    tetrachloroethylene 9471.05
    eugenol 1328.43
    triacetin 2381.75
    span 80 1672.33
    1,4-butanediol 1454.42
    1,1-dichloroethane 27933.68
    2-methyl-1-pentanol 6793.98
    methyl formate 5191.82
    2-methyl-1-butanol 14784.91
    n-decane 453.51
    butyronitrile 28113.75
    3,7-dimethyl-1-octanol 2559.4
    1-chlorooctane 2121.35
    1-chlorotetradecane 537.63
    n-nonane 504.45
    undecane 277.38
    tert-butylcyclohexane 771.47
    cyclooctane 964.63
    cyclopentanol 11816.11
    tetrahydropyran 60410.31
    tert-amyl methyl ether 16838.66
    2,5,8-trioxanonane 3557.3
    1-hexene 14421.3
    2-isopropoxyethanol 6629.4
    2,2,2-trifluoroethanol 647.34
    methyl butyrate 15700.83

    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