Propyl nonanoate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    6513-03-7

    Molecular formula
    C12H24O2

    SMILES
    CCCCCCCCC(=O)OCCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 87.97%
    Winey 73.78%
    Oily 72.33%
    Fatty 66.17%
    Cognac 62.27%
    Waxy 57.06%
    Sweet 54.06%
    Green 50.05%
    Floral 47.28%
    Fermented 43.46%

     

    Flavor
    Fruity 79.37%
    Waxy 69.28%
    Sweet 64.93%
    Green 61.16%
    Wine 45.45%
    Apple 45.22%
    Soapy 44.55%
    Pear 44.31%
    Tropical 43.09%
    Oily 42.37%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    7.96 (neutral)

    Molecular weight
    200.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    242°C

    Flash point

    • 98.85 ˚C est.

  • Synonyms

    • Propyl nonanoate
    • Nonanoic acid, propyl ester
    • 6513-03-7
    • n-Propyl nonanoate
    • NONANOIC ACID PROPYL ESTER
    • PROPYL PELARGONATE
    • J4E1ZM1C11
    • UNII-J4E1ZM1C11
    • DTXSID9064396
    • NONANOIC ACID,PROPYL ESTER
    • EINECS 229-403-1
    • AI3-33592
    • N-PROPYL PELARGONATE
    • Propyl nonan-1-oate
    • SCHEMBL606351
    • DTXCID1044516
    • AKOS010484220
    • NS00046651
    • Q27281186
    • 229-403-1

  • Applications

    Propyl nonanoate (CAS 6513-03-7) is commonly used as a fragrance ingredient in perfumery and is often evaluated for use as an aroma component in cosmetics and personal care; it may serve as a solvent or processing aid in coatings, paints and inks, as well as in cleaning formulations; it can act as an intermediate in organic synthesis; and it may function as a plasticizer or processing aid in polymers and plastics; it may also appear as a fragrance additive in household products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11651.23
    methanol 11713.35
    isopropanol 11557.99
    water 0.12
    ethyl acetate 11576.45
    n-propanol 9933.86
    acetone 19474.23
    n-butanol 8656.19
    acetonitrile 10427.7
    DMF 10088.09
    toluene 3733.2
    isobutanol 7864.96
    1,4-dioxane 9446.1
    methyl acetate 7426.72
    THF 12068.96
    2-butanone 12014.17
    n-pentanol 5854.91
    sec-butanol 9501.08
    n-hexane 3529.69
    ethylene glycol 506.68
    NMP 5915.36
    cyclohexane 3788.98
    DMSO 10401.01
    n-butyl acetate 10121.24
    n-octanol 2381.19
    chloroform 14744.4
    n-propyl acetate 8310.25
    acetic acid 5219.55
    dichloromethane 14774.64
    cyclohexanone 15207.93
    propylene glycol 1174.04
    isopropyl acetate 7529.72
    DMAc 5768.74
    2-ethoxyethanol 4716.24
    isopentanol 7859.78
    n-heptane 1132.29
    ethyl formate 5223.72
    1,2-dichloroethane 10749.85
    n-hexanol 5361.93
    2-methoxyethanol 7140.01
    isobutyl acetate 4344.51
    tetrachloromethane 2673.42
    n-pentyl acetate 5203.57
    transcutol 12384.57
    n-heptanol 2089.69
    ethylbenzene 2189.94
    MIBK 5334.58
    2-propoxyethanol 5640.58
    tert-butanol 11523.58
    MTBE 12837.32
    2-butoxyethanol 3248.3
    propionic acid 4791.99
    o-xylene 1974.99
    formic acid 776.76
    diethyl ether 13698.43
    m-xylene 2081.04
    p-xylene 2845.92
    chlorobenzene 4865.54
    dimethyl carbonate 1219.81
    n-octane 425.09
    formamide 1433.36
    cyclopentanone 11026.27
    2-pentanone 11427.88
    anisole 3251.89
    cyclopentyl methyl ether 7918.56
    gamma-butyrolactone 8809.72
    1-methoxy-2-propanol 5895.19
    pyridine 10336.77
    3-pentanone 6153.7
    furfural 5827.55
    n-dodecane 215.32
    diethylene glycol 2255.34
    diisopropyl ether 3342.8
    tert-amyl alcohol 9132.6
    acetylacetone 7500.74
    n-hexadecane 263.08
    acetophenone 2972.31
    methyl propionate 5710.58
    isopentyl acetate 7602.19
    trichloroethylene 15085.24
    n-nonanol 1891.52
    cyclohexanol 8192.22
    benzyl alcohol 2465.92
    2-ethylhexanol 3556.53
    isooctanol 1822.8
    dipropyl ether 5735.52
    1,2-dichlorobenzene 3717.99
    ethyl lactate 1597.76
    propylene carbonate 4679.32
    n-methylformamide 4793.52
    2-pentanol 7079.48
    n-pentane 1920.9
    1-propoxy-2-propanol 5271.96
    1-methoxy-2-propyl acetate 4609.85
    2-(2-methoxypropoxy) propanol 2105.09
    mesitylene 1388.13
    ε-caprolactone 9913.25
    p-cymene 1194.73
    epichlorohydrin 10034.91
    1,1,1-trichloroethane 10363.45
    2-aminoethanol 1873.8
    morpholine-4-carbaldehyde 5571.04
    sulfolane 8079.58
    2,2,4-trimethylpentane 592.83
    2-methyltetrahydrofuran 12462.19
    n-hexyl acetate 5769.38
    isooctane 498.0
    2-(2-butoxyethoxy)ethanol 3294.9
    sec-butyl acetate 5153.76
    tert-butyl acetate 6061.95
    decalin 1063.37
    glycerin 1099.18
    diglyme 6524.7
    acrylic acid 2727.53
    isopropyl myristate 1559.46
    n-butyric acid 10295.6
    acetyl acetate 4340.35
    di(2-ethylhexyl) phthalate 1072.09
    ethyl propionate 5772.03
    nitromethane 9045.09
    1,2-diethoxyethane 7454.95
    benzonitrile 4675.09
    trioctyl phosphate 873.91
    1-bromopropane 9777.15
    gamma-valerolactone 11367.7
    n-decanol 1186.88
    triethyl phosphate 1296.85
    4-methyl-2-pentanol 3115.99
    propionitrile 8121.92
    vinylene carbonate 3944.11
    1,1,2-trichlorotrifluoroethane 5382.44
    DMS 2433.69
    cumene 1287.27
    2-octanol 1889.46
    2-hexanone 8258.9
    octyl acetate 1902.1
    limonene 2343.46
    1,2-dimethoxyethane 10320.35
    ethyl orthosilicate 1372.43
    tributyl phosphate 1232.7
    diacetone alcohol 4539.59
    N,N-dimethylaniline 1953.96
    acrylonitrile 7549.87
    aniline 3922.56
    1,3-propanediol 3568.11
    bromobenzene 5646.37
    dibromomethane 11626.69
    1,1,2,2-tetrachloroethane 12333.56
    2-methyl-cyclohexyl acetate 2672.64
    tetrabutyl urea 1537.28
    diisobutyl methanol 1840.32
    2-phenylethanol 2392.85
    styrene 3161.15
    dioctyl adipate 1952.97
    dimethyl sulfate 1634.35
    ethyl butyrate 5347.88
    methyl lactate 1526.44
    butyl lactate 2702.05
    diethyl carbonate 2470.52
    propanediol butyl ether 2626.88
    triethyl orthoformate 2757.47
    p-tert-butyltoluene 1087.59
    methyl 4-tert-butylbenzoate 1974.28
    morpholine 13757.28
    tert-butylamine 7947.35
    n-dodecanol 828.58
    dimethoxymethane 5358.92
    ethylene carbonate 4064.62
    cyrene 1470.96
    2-ethoxyethyl acetate 4343.96
    2-ethylhexyl acetate 5441.02
    1,2,4-trichlorobenzene 3806.06
    4-methylpyridine 9821.64
    dibutyl ether 5543.08
    2,6-dimethyl-4-heptanol 1840.32
    DEF 9621.26
    dimethyl isosorbide 3177.82
    tetrachloroethylene 8143.19
    eugenol 1822.97
    triacetin 2894.32
    span 80 2258.58
    1,4-butanediol 1387.83
    1,1-dichloroethane 13333.25
    2-methyl-1-pentanol 5036.11
    methyl formate 2758.58
    2-methyl-1-butanol 6876.09
    n-decane 488.46
    butyronitrile 10693.96
    3,7-dimethyl-1-octanol 2348.26
    1-chlorooctane 2055.89
    1-chlorotetradecane 565.64
    n-nonane 564.29
    undecane 300.82
    tert-butylcyclohexane 929.49
    cyclooctane 849.42
    cyclopentanol 7127.22
    tetrahydropyran 17432.44
    tert-amyl methyl ether 6918.99
    2,5,8-trioxanonane 3451.47
    1-hexene 9489.96
    2-isopropoxyethanol 3780.59
    2,2,2-trifluoroethanol 1040.17
    methyl butyrate 9254.38

    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