1,3-Nonanediol, 1-propanoate

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  • Identifiers

    CAS number
    63408-88-8

    Molecular formula
    C12H24O3

    SMILES
    CCCCCCC(CCOC(=O)CC)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 70.62%
    Oily 63.7%
    Sweet 59.9%
    Floral 48.7%
    Fresh 46.28%
    Fatty 43.68%
    Green 42.13%
    Winey 41.94%
    Waxy 39.76%
    Herbal 35.81%

     

    Flavor
    Fruity 74.65%
    Green 60.7%
    Waxy 49.26%
    Floral 47.8%
    Tropical 46.61%
    Sweet 46.21%
    Oily 42.98%
    Mushroom 37.43%
    Fresh 35.77%
    Herbal 35.62%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.02 (weak base)

    Molecular weight
    216.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    282°C

    Flash point

    • 126.37 ˚C est.

  • Synonyms

    • 1,3-Nonanediol, 1-propanoate
    • 1,3-Nonanediol, 1-propionate
    • 63408-88-8
    • EINECS 264-131-7
    • DTXSID60885759
    • RefChem:72890
    • DTXCID101025121
    • 3-hydroxynonyl propanoate
    • 3-Hydroxynonyl propionate
    • SCHEMBL28846641
    • KTXBXWFBDQAWLR-UHFFFAOYSA-N
    • NS00054726
    • 63408-88-8

  • Applications

    1,3-Nonanediol, 1-propanoate (CAS 63408-88-8) is primarily used as a diol building block in polymer synthesis, notably for polyesters and polyurethanes, where it can serve as a chain extender or crosslinking component to impart flexibility. It also functions as a plasticizer and processing aid in plastics, coatings, and adhesives, improving processability and film properties. As a propanoate ester, it can act as a solvent or processing aid in coatings, inks, and cleaning formulations, and it serves as a chemical intermediate for the preparation of specialty esters used in fragrance and flavor applications. Additionally, it may be used as a precursor in the synthesis of polyol-based surfactants and other additives for coatings and detergents.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4789.57
    methanol 7449.32
    isopropanol 3632.93
    water 0.48
    ethyl acetate 3506.39
    n-propanol 3181.2
    acetone 7054.55
    n-butanol 2502.04
    acetonitrile 2939.24
    DMF 4687.52
    toluene 643.96
    isobutanol 2185.06
    1,4-dioxane 3187.66
    methyl acetate 2110.04
    THF 5402.69
    2-butanone 3189.61
    n-pentanol 1632.18
    sec-butanol 2368.16
    n-hexane 208.36
    ethylene glycol 357.74
    NMP 3103.31
    cyclohexane 276.01
    DMSO 8269.59
    n-butyl acetate 1967.42
    n-octanol 418.21
    chloroform 3393.34
    n-propyl acetate 2158.14
    acetic acid 3402.88
    dichloromethane 3533.63
    cyclohexanone 4300.35
    propylene glycol 697.02
    isopropyl acetate 2180.44
    DMAc 2890.24
    2-ethoxyethanol 2293.96
    isopentanol 2208.71
    n-heptane 58.29
    ethyl formate 1575.43
    1,2-dichloroethane 2770.8
    n-hexanol 1128.96
    2-methoxyethanol 3941.31
    isobutyl acetate 1171.49
    tetrachloromethane 488.26
    n-pentyl acetate 1098.82
    transcutol 6679.31
    n-heptanol 400.32
    ethylbenzene 360.68
    MIBK 1646.54
    2-propoxyethanol 1806.8
    tert-butanol 3819.37
    MTBE 3025.69
    2-butoxyethanol 971.84
    propionic acid 2039.41
    o-xylene 421.79
    formic acid 948.05
    diethyl ether 3142.21
    m-xylene 460.71
    p-xylene 494.52
    chlorobenzene 1039.93
    dimethyl carbonate 530.35
    n-octane 23.11
    formamide 1560.14
    cyclopentanone 4249.19
    2-pentanone 3148.48
    anisole 849.52
    cyclopentyl methyl ether 2478.27
    gamma-butyrolactone 4148.46
    1-methoxy-2-propanol 2851.89
    pyridine 2439.37
    3-pentanone 1603.58
    furfural 2548.49
    n-dodecane 17.13
    diethylene glycol 1153.77
    diisopropyl ether 614.29
    tert-amyl alcohol 2603.41
    acetylacetone 3099.21
    n-hexadecane 20.84
    acetophenone 890.98
    methyl propionate 1893.02
    isopentyl acetate 1619.99
    trichloroethylene 4432.69
    n-nonanol 347.5
    cyclohexanol 2141.43
    benzyl alcohol 769.12
    2-ethylhexanol 642.91
    isooctanol 352.1
    dipropyl ether 820.85
    1,2-dichlorobenzene 922.19
    ethyl lactate 592.74
    propylene carbonate 1893.19
    n-methylformamide 2306.96
    2-pentanol 1678.64
    n-pentane 128.92
    1-propoxy-2-propanol 1412.54
    1-methoxy-2-propyl acetate 1480.51
    2-(2-methoxypropoxy) propanol 854.55
    mesitylene 291.62
    ε-caprolactone 3193.99
    p-cymene 197.31
    epichlorohydrin 4071.99
    1,1,1-trichloroethane 2159.64
    2-aminoethanol 1145.25
    morpholine-4-carbaldehyde 2829.09
    sulfolane 4505.04
    2,2,4-trimethylpentane 80.8
    2-methyltetrahydrofuran 3966.51
    n-hexyl acetate 1270.35
    isooctane 60.52
    2-(2-butoxyethoxy)ethanol 1345.17
    sec-butyl acetate 1289.66
    tert-butyl acetate 1989.01
    decalin 125.47
    glycerin 848.48
    diglyme 2601.69
    acrylic acid 1421.06
    isopropyl myristate 336.12
    n-butyric acid 3507.01
    acetyl acetate 1635.78
    di(2-ethylhexyl) phthalate 323.69
    ethyl propionate 1472.03
    nitromethane 5666.38
    1,2-diethoxyethane 1854.41
    benzonitrile 1120.13
    trioctyl phosphate 233.05
    1-bromopropane 1593.08
    gamma-valerolactone 4717.39
    n-decanol 224.71
    triethyl phosphate 390.84
    4-methyl-2-pentanol 758.68
    propionitrile 1816.57
    vinylene carbonate 1535.62
    1,1,2-trichlorotrifluoroethane 2554.73
    DMS 836.57
    cumene 238.36
    2-octanol 305.32
    2-hexanone 2014.51
    octyl acetate 423.68
    limonene 385.34
    1,2-dimethoxyethane 3656.4
    ethyl orthosilicate 394.8
    tributyl phosphate 365.46
    diacetone alcohol 1875.26
    N,N-dimethylaniline 529.98
    acrylonitrile 1853.73
    aniline 1123.02
    1,3-propanediol 1869.79
    bromobenzene 1095.96
    dibromomethane 2343.59
    1,1,2,2-tetrachloroethane 3700.49
    2-methyl-cyclohexyl acetate 723.63
    tetrabutyl urea 438.71
    diisobutyl methanol 332.2
    2-phenylethanol 673.83
    styrene 547.87
    dioctyl adipate 574.71
    dimethyl sulfate 982.62
    ethyl butyrate 1122.26
    methyl lactate 749.25
    butyl lactate 823.82
    diethyl carbonate 622.28
    propanediol butyl ether 1035.07
    triethyl orthoformate 670.35
    p-tert-butyltoluene 193.84
    methyl 4-tert-butylbenzoate 659.43
    morpholine 4968.91
    tert-butylamine 1973.83
    n-dodecanol 154.54
    dimethoxymethane 2278.82
    ethylene carbonate 1534.98
    cyrene 732.27
    2-ethoxyethyl acetate 1392.53
    2-ethylhexyl acetate 1148.32
    1,2,4-trichlorobenzene 1078.69
    4-methylpyridine 2437.31
    dibutyl ether 794.7
    2,6-dimethyl-4-heptanol 332.2
    DEF 2843.45
    dimethyl isosorbide 1331.96
    tetrachloroethylene 2386.59
    eugenol 622.63
    triacetin 1113.16
    span 80 797.06
    1,4-butanediol 694.44
    1,1-dichloroethane 2644.61
    2-methyl-1-pentanol 1331.05
    methyl formate 1355.61
    2-methyl-1-butanol 1791.15
    n-decane 36.06
    butyronitrile 2275.34
    3,7-dimethyl-1-octanol 475.29
    1-chlorooctane 260.46
    1-chlorotetradecane 74.4
    n-nonane 36.28
    undecane 22.97
    tert-butylcyclohexane 109.14
    cyclooctane 60.4
    cyclopentanol 2218.77
    tetrahydropyran 4271.41
    tert-amyl methyl ether 1633.59
    2,5,8-trioxanonane 1488.23
    1-hexene 974.89
    2-isopropoxyethanol 1481.28
    2,2,2-trifluoroethanol 778.3
    methyl butyrate 2300.24

    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