2-Nonanone, 3-(hydroxymethyl)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    67801-33-6

    Molecular formula
    C10H20O2

    SMILES
    CCCCCCC(CO)C(=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Herbal 76.11%
    Sweet 65.82%
    Earthy 62.58%
    Fresh 53.41%
    Spicy 50.58%
    Green 50.19%
    Fruity 49.31%
    Mushroom 46.73%
    Oily 45.64%
    Floral 44.96%

     

    Flavor
    Fruity 48.08%
    Green 45.71%
    Oily 41.44%
    Herbal 40.61%
    Waxy 39.87%
    Mushroom 36.67%
    Floral 33.77%
    Fatty 33.38%
    Fresh 31.23%
    Tropical 29.79%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    8.81 (weak base)

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    251°C

    Flash point

    • 111.22 ˚C est.

  • Synonyms

    • 2-Nonanone, 3-(hydroxymethyl)-
    • 3-(Hydroxymethyl)nonan-2-one
    • 67801-33-6
    • 3-(Hydroxymethyl)-2-nonanone
    • 2-Acetyl-1-octanol
    • UNII-4QZ8NDH82S
    • EINECS 267-154-0
    • 4QZ8NDH82S
    • DTXSID50867342
    • SCHEMBL294189
    • DTXCID00815535
    • CHEBI:229378
    • AKOS006273053
    • NS00012639
    • Q27260385
    • 267-154-0

  • Applications

    2-Nonanone, 3-(hydroxymethyl)- is primarily used as an intermediate in organic synthesis and in fragrance chemistry, serving as a building block for specialty chemicals. In perfumery and fragrance applications, it can act as a fragrance precursor or intermediate for constructing complex aroma materials. In cosmetics and personal care, it may function as an intermediate for fragrance components or as a building block in synthetic formulations. In polymers and plastics, it can be used as a precursor or co-monomer for specialty polymers. In coatings and inks, it may serve as a processing intermediate or linking component in the manufacture of coatings and printed materials. In industrial manufacturing, it is evaluated as a chemical building block with attention to processing properties and regulatory compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7906.28
    methanol 10459.66
    isopropanol 8120.99
    water 1.22
    ethyl acetate 3658.66
    n-propanol 6610.39
    acetone 8259.34
    n-butanol 5237.28
    acetonitrile 3844.03
    DMF 4240.47
    toluene 591.54
    isobutanol 4814.28
    1,4-dioxane 5147.58
    methyl acetate 2439.15
    THF 6692.87
    2-butanone 3864.17
    n-pentanol 2853.82
    sec-butanol 4801.78
    n-hexane 533.13
    ethylene glycol 918.97
    NMP 2372.36
    cyclohexane 658.71
    DMSO 5552.25
    n-butyl acetate 2278.4
    n-octanol 682.25
    chloroform 4088.02
    n-propyl acetate 1955.57
    acetic acid 3632.79
    dichloromethane 3072.68
    cyclohexanone 4742.05
    propylene glycol 1729.1
    isopropyl acetate 2064.72
    DMAc 1606.56
    2-ethoxyethanol 2596.83
    isopentanol 4108.66
    n-heptane 173.0
    ethyl formate 1821.39
    1,2-dichloroethane 2780.63
    n-hexanol 2627.62
    2-methoxyethanol 5223.26
    isobutyl acetate 1034.51
    tetrachloromethane 798.59
    n-pentyl acetate 1018.4
    transcutol 5878.22
    n-heptanol 750.2
    ethylbenzene 340.33
    MIBK 1626.92
    2-propoxyethanol 2852.98
    tert-butanol 8102.46
    MTBE 4462.92
    2-butoxyethanol 1265.1
    propionic acid 2937.1
    o-xylene 399.15
    formic acid 1063.98
    diethyl ether 4213.58
    m-xylene 476.71
    p-xylene 462.47
    chlorobenzene 1066.84
    dimethyl carbonate 378.6
    n-octane 58.07
    formamide 1419.49
    cyclopentanone 4337.54
    2-pentanone 3459.64
    anisole 755.98
    cyclopentyl methyl ether 2997.58
    gamma-butyrolactone 4103.99
    1-methoxy-2-propanol 3689.26
    pyridine 2501.46
    3-pentanone 1749.75
    furfural 2331.24
    n-dodecane 33.55
    diethylene glycol 1818.21
    diisopropyl ether 931.83
    tert-amyl alcohol 4390.88
    acetylacetone 2293.9
    n-hexadecane 40.07
    acetophenone 632.89
    methyl propionate 1889.75
    isopentyl acetate 1757.37
    trichloroethylene 4118.21
    n-nonanol 535.8
    cyclohexanol 3857.18
    benzyl alcohol 782.36
    2-ethylhexanol 1163.84
    isooctanol 596.42
    dipropyl ether 1379.06
    1,2-dichlorobenzene 827.52
    ethyl lactate 546.55
    propylene carbonate 1821.51
    n-methylformamide 2779.65
    2-pentanol 3214.63
    n-pentane 372.51
    1-propoxy-2-propanol 2166.09
    1-methoxy-2-propyl acetate 1431.3
    2-(2-methoxypropoxy) propanol 825.5
    mesitylene 335.96
    ε-caprolactone 3255.1
    p-cymene 227.98
    epichlorohydrin 4024.22
    1,1,1-trichloroethane 2760.09
    2-aminoethanol 2576.67
    morpholine-4-carbaldehyde 2369.36
    sulfolane 3857.87
    2,2,4-trimethylpentane 148.21
    2-methyltetrahydrofuran 5523.89
    n-hexyl acetate 1248.15
    isooctane 137.25
    2-(2-butoxyethoxy)ethanol 1331.61
    sec-butyl acetate 1137.98
    tert-butyl acetate 1977.61
    decalin 191.71
    glycerin 1560.32
    diglyme 2477.48
    acrylic acid 1764.81
    isopropyl myristate 354.88
    n-butyric acid 4991.87
    acetyl acetate 1279.18
    di(2-ethylhexyl) phthalate 303.75
    ethyl propionate 1296.16
    nitromethane 4524.89
    1,2-diethoxyethane 2044.36
    benzonitrile 1178.45
    trioctyl phosphate 255.84
    1-bromopropane 1967.88
    gamma-valerolactone 4535.01
    n-decanol 351.24
    triethyl phosphate 320.12
    4-methyl-2-pentanol 1258.68
    propionitrile 2920.22
    vinylene carbonate 1383.03
    1,1,2-trichlorotrifluoroethane 2399.58
    DMS 611.25
    cumene 238.99
    2-octanol 518.51
    2-hexanone 2138.94
    octyl acetate 441.81
    limonene 502.87
    1,2-dimethoxyethane 3886.97
    ethyl orthosilicate 354.46
    tributyl phosphate 348.47
    diacetone alcohol 2047.11
    N,N-dimethylaniline 421.56
    acrylonitrile 2526.6
    aniline 1350.26
    1,3-propanediol 3726.19
    bromobenzene 980.0
    dibromomethane 2358.58
    1,1,2,2-tetrachloroethane 3601.49
    2-methyl-cyclohexyl acetate 678.25
    tetrabutyl urea 391.16
    diisobutyl methanol 575.99
    2-phenylethanol 827.55
    styrene 469.67
    dioctyl adipate 487.06
    dimethyl sulfate 635.7
    ethyl butyrate 1163.43
    methyl lactate 773.55
    butyl lactate 770.06
    diethyl carbonate 562.43
    propanediol butyl ether 1182.37
    triethyl orthoformate 689.33
    p-tert-butyltoluene 240.36
    methyl 4-tert-butylbenzoate 546.95
    morpholine 7028.82
    tert-butylamine 4752.05
    n-dodecanol 243.74
    dimethoxymethane 2019.98
    ethylene carbonate 1422.91
    cyrene 610.38
    2-ethoxyethyl acetate 1156.29
    2-ethylhexyl acetate 1152.56
    1,2,4-trichlorobenzene 941.97
    4-methylpyridine 2374.79
    dibutyl ether 1032.59
    2,6-dimethyl-4-heptanol 575.99
    DEF 2728.96
    dimethyl isosorbide 1204.53
    tetrachloroethylene 2550.33
    eugenol 562.23
    triacetin 786.51
    span 80 848.01
    1,4-butanediol 1101.87
    1,1-dichloroethane 3575.6
    2-methyl-1-pentanol 1887.27
    methyl formate 1466.64
    2-methyl-1-butanol 3324.73
    n-decane 72.65
    butyronitrile 3570.42
    3,7-dimethyl-1-octanol 672.47
    1-chlorooctane 382.92
    1-chlorotetradecane 111.96
    n-nonane 77.72
    undecane 47.47
    tert-butylcyclohexane 186.25
    cyclooctane 137.86
    cyclopentanol 4265.59
    tetrahydropyran 6939.09
    tert-amyl methyl ether 2073.05
    2,5,8-trioxanonane 1302.69
    1-hexene 1743.51
    2-isopropoxyethanol 1710.52
    2,2,2-trifluoroethanol 862.0
    methyl butyrate 2051.53

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.015 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.17 %
Category 2
Products applied to the axillae
 0.0044 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.17 %
Category 3
Products applied to the face/body using fingertips
 0.088 % Category 8
Products with significant anogenital exposure
 0.0086 %
Category 4
Products related to fine fragrance
 0.082 % Category 9
Products with body and hand exposure, primarily rinse off
 0.16 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.021 % Category 10A
Household care products with mostly hand contact
 0.57 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.021 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0.57 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.021 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.32 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.021 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.32 %
Category 6
Products with oral and lip exposure
 0.048 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction