Nonyl formate

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  • Identifiers

    CAS number
    5451-92-3

    Molecular formula
    C10H20O2

    SMILES
    CCCCCCCCCOC=O

  • Odor profile

    Fragrance
    Fruity 80.96%
    Waxy 73.82%
    Green 68.73%
    Citrus 68.29%
    Floral 66.74%
    Rose 59.52%
    Fresh 58.98%
    Fatty 54.31%
    Sweet 51.62%
    Orange 51.43%

     

    Flavor
    Waxy 79.43%
    Rose 61.29%
    Floral 56.8%
    Green 56.1%
    Sweet 50.73%
    Fruity 50.62%
    Soapy 48.62%
    Clean 48.34%
    Fresh 45.89%
    Orange 44.46%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    7.71 (neutral)

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    217°C

    Flash point

    • 86.09 ˚C est.

  • Synonyms

    • Nonyl formate
    • 5451-92-3
    • Formic acid, nonyl ester
    • N93FU7QE6P
    • 1-NONYL FORMATE
    • NSC-21878
    • NONYL ALCOHOL, FORMATE
    • EINECS 304-191-4
    • NSC 21878
    • 94247-15-1
    • Nonyl ester formic acid
    • n-nonyl formate
    • Nonyl methanoate
    • 1-n-Nonyl formate
    • UNII-N93FU7QE6P
    • SCHEMBL93202
    • DTXSID20915925
    • MOGJOLMSQWGXPA-UHFFFAOYSA-N
    • DTXCID001344893
    • DTXSID401031650
    • NSC21878
    • AKOS006271497
    • DB-052596
    • NS00066522
    • 304-191-4

  • Applications

    Nonyl formate, CAS 5451-92-3, is primarily used as an odorant in fragrance formulations and may function as a fixative to help extend scent in perfumery. It also appears as a fragrance ingredient in cosmetics and personal-care products, and can be used in household cleaning and care products to impart or retain a pleasant aroma. In industry, it can be employed as a solvent or intermediate in fragrance chemistry and related syntheses, and may act as a processing aid or additive in polymer formulations, coatings, and inks. It may also serve as a precursor or intermediate for the synthesis of other aroma chemicals. Regulatory status depends on local rules and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2457.69
    methanol 2396.26
    isopropanol 2177.12
    water 0.02
    ethyl acetate 2900.83
    n-propanol 1927.28
    acetone 4636.46
    n-butanol 1778.0
    acetonitrile 1917.3
    DMF 2307.4
    toluene 833.25
    isobutanol 1358.94
    1,4-dioxane 2598.12
    methyl acetate 1661.11
    THF 5094.43
    2-butanone 3091.33
    n-pentanol 1313.26
    sec-butanol 1618.19
    n-hexane 615.52
    ethylene glycol 138.16
    NMP 1679.8
    cyclohexane 781.72
    DMSO 4348.95
    n-butyl acetate 2477.67
    n-octanol 412.4
    chloroform 3747.67
    n-propyl acetate 2278.18
    acetic acid 1258.65
    dichloromethane 4412.0
    cyclohexanone 4269.11
    propylene glycol 335.77
    isopropyl acetate 1744.09
    DMAc 1162.94
    2-ethoxyethanol 1446.69
    isopentanol 1612.14
    n-heptane 244.24
    ethyl formate 1136.71
    1,2-dichloroethane 3728.93
    n-hexanol 1280.96
    2-methoxyethanol 2396.6
    isobutyl acetate 1091.29
    tetrachloromethane 599.33
    n-pentyl acetate 1062.35
    transcutol 4486.33
    n-heptanol 409.68
    ethylbenzene 463.91
    MIBK 1433.27
    2-propoxyethanol 1775.71
    tert-butanol 2466.12
    MTBE 2419.05
    2-butoxyethanol 881.13
    propionic acid 1143.15
    o-xylene 438.63
    formic acid 194.26
    diethyl ether 3148.84
    m-xylene 545.2
    p-xylene 567.43
    chlorobenzene 1162.09
    dimethyl carbonate 301.76
    n-octane 77.69
    formamide 407.48
    cyclopentanone 3916.68
    2-pentanone 3104.4
    anisole 839.1
    cyclopentyl methyl ether 2814.29
    gamma-butyrolactone 3276.49
    1-methoxy-2-propanol 2041.35
    pyridine 2697.14
    3-pentanone 1680.11
    furfural 2026.5
    n-dodecane 37.67
    diethylene glycol 797.59
    diisopropyl ether 742.87
    tert-amyl alcohol 1726.34
    acetylacetone 2129.16
    n-hexadecane 46.12
    acetophenone 776.9
    methyl propionate 1662.5
    isopentyl acetate 1784.66
    trichloroethylene 4959.38
    n-nonanol 352.05
    cyclohexanol 1830.81
    benzyl alcohol 674.74
    2-ethylhexanol 837.45
    isooctanol 375.33
    dipropyl ether 1623.82
    1,2-dichlorobenzene 990.44
    ethyl lactate 483.94
    propylene carbonate 1449.61
    n-methylformamide 1194.21
    2-pentanol 1401.65
    n-pentane 337.07
    1-propoxy-2-propanol 1671.77
    1-methoxy-2-propyl acetate 1468.73
    2-(2-methoxypropoxy) propanol 668.43
    mesitylene 358.93
    ε-caprolactone 2690.88
    p-cymene 281.85
    epichlorohydrin 3906.55
    1,1,1-trichloroethane 2853.93
    2-aminoethanol 539.06
    morpholine-4-carbaldehyde 1707.08
    sulfolane 3270.7
    2,2,4-trimethylpentane 109.98
    2-methyltetrahydrofuran 4070.92
    n-hexyl acetate 1158.89
    isooctane 97.53
    2-(2-butoxyethoxy)ethanol 1003.45
    sec-butyl acetate 1314.53
    tert-butyl acetate 1689.02
    decalin 219.86
    glycerin 351.56
    diglyme 2061.74
    acrylic acid 709.94
    isopropyl myristate 373.5
    n-butyric acid 2443.91
    acetyl acetate 1064.83
    di(2-ethylhexyl) phthalate 261.24
    ethyl propionate 1603.79
    nitromethane 2316.54
    1,2-diethoxyethane 2152.07
    benzonitrile 1005.69
    trioctyl phosphate 210.77
    1-bromopropane 2722.28
    gamma-valerolactone 3726.9
    n-decanol 236.39
    triethyl phosphate 399.19
    4-methyl-2-pentanol 668.96
    propionitrile 1741.28
    vinylene carbonate 1088.24
    1,1,2-trichlorotrifluoroethane 1923.76
    DMS 623.74
    cumene 285.87
    2-octanol 324.97
    2-hexanone 2277.86
    octyl acetate 429.79
    limonene 545.63
    1,2-dimethoxyethane 2819.79
    ethyl orthosilicate 417.05
    tributyl phosphate 317.05
    diacetone alcohol 1497.39
    N,N-dimethylaniline 472.04
    acrylonitrile 1704.41
    aniline 954.87
    1,3-propanediol 914.57
    bromobenzene 1382.13
    dibromomethane 3387.08
    1,1,2,2-tetrachloroethane 3838.96
    2-methyl-cyclohexyl acetate 795.23
    tetrabutyl urea 387.74
    diisobutyl methanol 489.28
    2-phenylethanol 682.64
    styrene 652.41
    dioctyl adipate 524.62
    dimethyl sulfate 499.89
    ethyl butyrate 1485.77
    methyl lactate 474.23
    butyl lactate 675.97
    diethyl carbonate 711.76
    propanediol butyl ether 684.87
    triethyl orthoformate 794.02
    p-tert-butyltoluene 268.86
    methyl 4-tert-butylbenzoate 522.59
    morpholine 4145.32
    tert-butylamine 1635.07
    n-dodecanol 172.93
    dimethoxymethane 1609.91
    ethylene carbonate 1016.28
    cyrene 515.2
    2-ethoxyethyl acetate 1175.37
    2-ethylhexyl acetate 1300.16
    1,2,4-trichlorobenzene 1036.22
    4-methylpyridine 2222.0
    dibutyl ether 1232.57
    2,6-dimethyl-4-heptanol 489.28
    DEF 2423.74
    dimethyl isosorbide 1165.0
    tetrachloroethylene 2459.99
    eugenol 502.28
    triacetin 788.66
    span 80 659.1
    1,4-butanediol 342.04
    1,1-dichloroethane 3631.88
    2-methyl-1-pentanol 1066.52
    methyl formate 659.47
    2-methyl-1-butanol 1276.12
    n-decane 86.19
    butyronitrile 2150.07
    3,7-dimethyl-1-octanol 503.31
    1-chlorooctane 411.96
    1-chlorotetradecane 115.92
    n-nonane 99.06
    undecane 53.52
    tert-butylcyclohexane 191.21
    cyclooctane 184.4
    cyclopentanol 1793.83
    tetrahydropyran 4931.71
    tert-amyl methyl ether 1492.99
    2,5,8-trioxanonane 1102.82
    1-hexene 1870.4
    2-isopropoxyethanol 1138.36
    2,2,2-trifluoroethanol 253.48
    methyl butyrate 2373.76

    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