1,3-Nonanediol, 1,3-diacetate

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  • Identifiers

    CAS number
    63270-14-4

    Molecular formula
    C13H24O4

    SMILES
    CCCCCCC(CCOC(=O)C)OC(=O)C

  • Odor profile

    Fragrance
    Floral 79.81%
    Fruity 57.11%
    Fresh 52.09%
    Green 43.84%
    Jasmin 40.45%
    Sweet 38.8%
    Herbal 37.53%
    Waxy 34.84%
    Rose 34.65%
    Oily 33.59%

     

    Flavor
    Fruity 74.07%
    Green 62.49%
    Tropical 50.97%
    Sweet 44.09%
    Fruit 43.3%
    Fresh 41.49%
    Herbal 41.23%
    Woody 38.62%
    Waxy 37.43%
    Bitter 35.57%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.57 (neutral)

    Molecular weight
    244.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    284°C

    Flash point

    • 130.49 ˚C est.

  • Synonyms

    • Nonane-1,3-diyl diacetate
    • 1,3-Nonanediol, diacetate
    • 63270-14-4
    • 3-acetyloxynonyl acetate
    • 1,3-Nonanediol, 1,3-diacetate
    • EINECS 264-060-1
    • 59970-21-7
    • DTXSID10866997
    • DTXSID40276121
    • 1,3-nonanediol diacetate
    • 1,3-nonane diyl diacetate
    • J4MC6KVH7U
    • SCHEMBL1716482
    • DTXCID40815216
    • DTXCID80227470
    • XUVKIVFZTRZJRP-UHFFFAOYSA-N
    • DB-321238
    • NS00056443
    • 264-060-1

  • Applications

    1,3-Nonanediol, 1,3-diacetate is a diester primarily used as a plasticizer for polymers and coatings (including PVC, polyesters, and polyurethanes) to improve flexibility and processability. It is also employed as a processing aid and solvent in coatings, inks, and adhesives. As a chemical intermediate, it is used in the synthesis of specialty resins and polyurethane polyols. It can function as a reactive diluent or co-monomer in UV- or thermally cured coatings. In some formulations it may be evaluated as a fragrance solvent or carrier, depending on regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 548.44
    methanol 842.97
    isopropanol 433.68
    water 1.02
    ethyl acetate 608.5
    n-propanol 350.59
    acetone 1287.91
    n-butanol 301.74
    acetonitrile 582.05
    DMF 1862.23
    toluene 202.27
    isobutanol 293.27
    1,4-dioxane 644.36
    methyl acetate 510.19
    THF 1314.66
    2-butanone 607.51
    n-pentanol 231.86
    sec-butanol 309.22
    n-hexane 22.02
    ethylene glycol 114.07
    NMP 2100.96
    cyclohexane 29.67
    DMSO 2378.31
    n-butyl acetate 299.65
    n-octanol 87.97
    chloroform 1292.7
    n-propyl acetate 323.87
    acetic acid 1203.47
    dichloromethane 1316.65
    cyclohexanone 1107.77
    propylene glycol 204.66
    isopropyl acetate 431.75
    DMAc 1834.33
    2-ethoxyethanol 458.45
    isopentanol 303.96
    n-heptane 6.83
    ethyl formate 314.88
    1,2-dichloroethane 848.47
    n-hexanol 155.68
    2-methoxyethanol 800.15
    isobutyl acetate 230.2
    tetrachloromethane 122.34
    n-pentyl acetate 194.69
    transcutol 1730.34
    n-heptanol 64.2
    ethylbenzene 123.03
    MIBK 376.86
    2-propoxyethanol 405.73
    tert-butanol 601.22
    MTBE 424.04
    2-butoxyethanol 194.48
    propionic acid 598.26
    o-xylene 171.18
    formic acid 410.85
    diethyl ether 324.81
    m-xylene 182.37
    p-xylene 174.61
    chlorobenzene 380.94
    dimethyl carbonate 250.09
    n-octane 4.1
    formamide 545.43
    cyclopentanone 1337.87
    2-pentanone 558.08
    anisole 316.09
    cyclopentyl methyl ether 616.68
    gamma-butyrolactone 1655.37
    1-methoxy-2-propanol 655.53
    pyridine 599.64
    3-pentanone 416.61
    furfural 1158.02
    n-dodecane 4.81
    diethylene glycol 343.56
    diisopropyl ether 105.05
    tert-amyl alcohol 422.82
    acetylacetone 889.97
    n-hexadecane 5.79
    acetophenone 387.2
    methyl propionate 519.03
    isopentyl acetate 298.0
    trichloroethylene 1612.51
    n-nonanol 82.88
    cyclohexanol 382.56
    benzyl alcohol 276.21
    2-ethylhexanol 99.31
    isooctanol 62.29
    dipropyl ether 116.62
    1,2-dichlorobenzene 384.74
    ethyl lactate 176.92
    propylene carbonate 764.97
    n-methylformamide 655.73
    2-pentanol 205.1
    n-pentane 13.62
    1-propoxy-2-propanol 277.02
    1-methoxy-2-propyl acetate 403.63
    2-(2-methoxypropoxy) propanol 335.76
    mesitylene 109.36
    ε-caprolactone 997.84
    p-cymene 64.72
    epichlorohydrin 1341.13
    1,1,1-trichloroethane 699.5
    2-aminoethanol 264.72
    morpholine-4-carbaldehyde 1291.45
    sulfolane 2158.02
    2,2,4-trimethylpentane 16.74
    2-methyltetrahydrofuran 816.33
    n-hexyl acetate 321.84
    isooctane 11.54
    2-(2-butoxyethoxy)ethanol 414.32
    sec-butyl acetate 244.86
    tert-butyl acetate 507.96
    decalin 30.43
    glycerin 312.19
    diglyme 761.55
    acrylic acid 515.22
    isopropyl myristate 105.6
    n-butyric acid 681.38
    acetyl acetate 516.98
    di(2-ethylhexyl) phthalate 131.32
    ethyl propionate 327.8
    nitromethane 2013.16
    1,2-diethoxyethane 342.82
    benzonitrile 378.18
    trioctyl phosphate 77.5
    1-bromopropane 354.48
    gamma-valerolactone 1642.69
    n-decanol 57.83
    triethyl phosphate 145.32
    4-methyl-2-pentanol 132.47
    propionitrile 339.72
    vinylene carbonate 648.95
    1,1,2-trichlorotrifluoroethane 992.05
    DMS 349.17
    cumene 90.29
    2-octanol 52.92
    2-hexanone 325.33
    octyl acetate 134.16
    limonene 104.41
    1,2-dimethoxyethane 726.81
    ethyl orthosilicate 132.45
    tributyl phosphate 128.66
    diacetone alcohol 548.38
    N,N-dimethylaniline 227.39
    acrylonitrile 473.45
    aniline 339.04
    1,3-propanediol 362.4
    bromobenzene 411.0
    dibromomethane 776.18
    1,1,2,2-tetrachloroethane 1302.14
    2-methyl-cyclohexyl acetate 227.36
    tetrabutyl urea 171.32
    diisobutyl methanol 66.02
    2-phenylethanol 195.37
    styrene 164.49
    dioctyl adipate 209.84
    dimethyl sulfate 629.61
    ethyl butyrate 222.25
    methyl lactate 294.04
    butyl lactate 202.52
    diethyl carbonate 168.24
    propanediol butyl ether 283.72
    triethyl orthoformate 167.02
    p-tert-butyltoluene 61.77
    methyl 4-tert-butylbenzoate 287.82
    morpholine 922.3
    tert-butylamine 293.26
    n-dodecanol 42.12
    dimethoxymethane 640.45
    ethylene carbonate 507.22
    cyrene 367.01
    2-ethoxyethyl acetate 319.54
    2-ethylhexyl acetate 224.12
    1,2,4-trichlorobenzene 497.68
    4-methylpyridine 766.49
    dibutyl ether 143.48
    2,6-dimethyl-4-heptanol 66.02
    DEF 772.28
    dimethyl isosorbide 579.18
    tetrachloroethylene 673.89
    eugenol 250.6
    triacetin 452.64
    span 80 277.29
    1,4-butanediol 146.18
    1,1-dichloroethane 803.34
    2-methyl-1-pentanol 228.25
    methyl formate 459.81
    2-methyl-1-butanol 279.97
    n-decane 8.38
    butyronitrile 359.11
    3,7-dimethyl-1-octanol 106.28
    1-chlorooctane 59.09
    1-chlorotetradecane 22.63
    n-nonane 7.69
    undecane 6.06
    tert-butylcyclohexane 26.0
    cyclooctane 8.83
    cyclopentanol 450.04
    tetrahydropyran 623.74
    tert-amyl methyl ether 330.16
    2,5,8-trioxanonane 543.9
    1-hexene 109.61
    2-isopropoxyethanol 315.96
    2,2,2-trifluoroethanol 387.98
    methyl butyrate 422.13

    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