1,5-Diacetoxypentane

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  • Identifiers

    CAS number
    6963-44-6

    Molecular formula
    C9H16O4

    SMILES
    CC(=O)OCCCCCOC(=O)C

  • Odor profile

    Fragrance
    Fruity 91.27%
    Ethereal 53.66%
    Sweet 52.76%
    Fresh 39.29%
    Winey 36.16%
    Apple 35.0%
    Floral 34.47%
    Rummy 29.06%
    Grape 26.48%
    Solvent 26.41%

     

    Flavor
    Fruity 90.19%
    Sweet 56.07%
    Bitter 54.65%
    Banana 51.65%
    Green 49.04%
    Fruit 46.34%
    Pineapple 45.21%
    Apple 44.36%
    Ethereal 41.14%
    Pear 40.22%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    7.13 (neutral)

    Molecular weight
    188.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    240°C

    Flash point

    • 109.21 ˚C est.

  • Synonyms

    • 1,5-Diacetoxypentane
    • 6963-44-6
    • 1,5-Pentanediol diacetate
    • 5-acetyloxypentyl acetate
    • Pentamethylene acetate
    • Pentane-1,5-diyl diacetate
    • 1,5-Pentanediol, diacetate
    • 1,5-Pentanediol, 1,5-diacetate
    • G4MN8HY4EY
    • 1,5-diacetoxy-pentane
    • EINECS 230-161-4
    • NSC 53781
    • NSC-53781
    • AI3-06263
    • DTXSID80884345
    • 5-(Acetyloxy)pentyl acetate
    • MFCD00014985
    • Pentamethylene Diacetate
    • starbld0018528
    • UNII-G4MN8HY4EY
    • 5-(Acetyloxy)pentyl acetate #
    • SCHEMBL9190720
    • DTXCID201023792
    • NSC53781
    • AKOS015913369
    • AS-87803
    • CS-0319552
    • NS00043736
    • P1238

  • Applications

    1,5-Diacetoxypentane (CAS 6963-44-6) is an organic diester that serves primarily as an intermediate and versatile building block in industrial synthesis. In practice, it is used as a precursor for polyester and ester derivatives, enabling downstream polymerization and functionalization in the plastics and coatings sector. It can function as a plasticizer or reactive diluent in polymers, coatings, inks, and adhesives to adjust flexibility and processing characteristics. It is also employed as a solvent/co-solvent in certain industrial formulations and as a starting material for the synthesis of specialty esters and additives via transesterification or hydrolysis. Its use is formulation- and regulation-dependent, and it should be handled according to local guidelines.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 251.1
    methanol 444.44
    isopropanol 196.69
    water 5.37
    ethyl acetate 176.09
    n-propanol 135.99
    acetone 505.84
    n-butanol 98.61
    acetonitrile 304.66
    DMF 903.5
    toluene 92.66
    isobutanol 96.59
    1,4-dioxane 351.62
    methyl acetate 217.07
    THF 542.55
    2-butanone 227.86
    n-pentanol 73.45
    sec-butanol 124.46
    n-hexane 14.52
    ethylene glycol 57.72
    NMP 870.14
    cyclohexane 17.71
    DMSO 996.28
    n-butyl acetate 68.04
    n-octanol 38.62
    chloroform 606.86
    n-propyl acetate 92.01
    acetic acid 605.89
    dichloromethane 543.01
    cyclohexanone 364.66
    propylene glycol 78.07
    isopropyl acetate 101.59
    DMAc 908.43
    2-ethoxyethanol 196.28
    isopentanol 80.97
    n-heptane 5.55
    ethyl formate 158.32
    1,2-dichloroethane 281.88
    n-hexanol 42.2
    2-methoxyethanol 391.06
    isobutyl acetate 58.06
    tetrachloromethane 49.8
    n-pentyl acetate 55.13
    transcutol 448.51
    n-heptanol 23.43
    ethylbenzene 56.18
    MIBK 83.84
    2-propoxyethanol 125.15
    tert-butanol 248.0
    MTBE 132.75
    2-butoxyethanol 65.98
    propionic acid 248.03
    o-xylene 78.22
    formic acid 286.13
    diethyl ether 115.23
    m-xylene 62.57
    p-xylene 87.55
    chlorobenzene 139.84
    dimethyl carbonate 76.44
    n-octane 3.92
    formamide 385.8
    cyclopentanone 489.6
    2-pentanone 151.11
    anisole 129.78
    cyclopentyl methyl ether 174.39
    gamma-butyrolactone 650.56
    1-methoxy-2-propanol 245.29
    pyridine 309.53
    3-pentanone 121.14
    furfural 540.38
    n-dodecane 4.44
    diethylene glycol 124.94
    diisopropyl ether 27.53
    tert-amyl alcohol 154.9
    acetylacetone 258.09
    n-hexadecane 5.06
    acetophenone 147.5
    methyl propionate 153.95
    isopentyl acetate 64.9
    trichloroethylene 572.84
    n-nonanol 36.94
    cyclohexanol 127.55
    benzyl alcohol 119.42
    2-ethylhexanol 29.56
    isooctanol 20.96
    dipropyl ether 41.44
    1,2-dichlorobenzene 136.45
    ethyl lactate 62.57
    propylene carbonate 259.49
    n-methylformamide 375.27
    2-pentanol 63.24
    n-pentane 9.27
    1-propoxy-2-propanol 81.37
    1-methoxy-2-propyl acetate 93.16
    2-(2-methoxypropoxy) propanol 117.87
    mesitylene 37.7
    ε-caprolactone 303.85
    p-cymene 26.19
    epichlorohydrin 452.44
    1,1,1-trichloroethane 229.83
    2-aminoethanol 111.93
    morpholine-4-carbaldehyde 578.76
    sulfolane 739.39
    2,2,4-trimethylpentane 7.47
    2-methyltetrahydrofuran 295.8
    n-hexyl acetate 96.06
    isooctane 3.71
    2-(2-butoxyethoxy)ethanol 141.52
    sec-butyl acetate 64.07
    tert-butyl acetate 110.58
    decalin 14.6
    glycerin 134.22
    diglyme 266.32
    acrylic acid 250.33
    isopropyl myristate 39.12
    n-butyric acid 228.44
    acetyl acetate 150.99
    di(2-ethylhexyl) phthalate 47.94
    ethyl propionate 98.13
    nitromethane 909.26
    1,2-diethoxyethane 110.84
    benzonitrile 158.42
    trioctyl phosphate 28.41
    1-bromopropane 126.61
    gamma-valerolactone 639.49
    n-decanol 26.42
    triethyl phosphate 53.76
    4-methyl-2-pentanol 34.18
    propionitrile 159.68
    vinylene carbonate 254.44
    1,1,2-trichlorotrifluoroethane 366.21
    DMS 106.54
    cumene 39.82
    2-octanol 21.45
    2-hexanone 101.07
    octyl acetate 49.5
    limonene 36.5
    1,2-dimethoxyethane 368.22
    ethyl orthosilicate 49.68
    tributyl phosphate 45.59
    diacetone alcohol 140.58
    N,N-dimethylaniline 102.15
    acrylonitrile 254.47
    aniline 142.65
    1,3-propanediol 153.12
    bromobenzene 143.04
    dibromomethane 320.27
    1,1,2,2-tetrachloroethane 451.15
    2-methyl-cyclohexyl acetate 70.14
    tetrabutyl urea 65.86
    diisobutyl methanol 22.24
    2-phenylethanol 65.89
    styrene 74.54
    dioctyl adipate 74.35
    dimethyl sulfate 196.27
    ethyl butyrate 65.65
    methyl lactate 98.63
    butyl lactate 55.88
    diethyl carbonate 58.69
    propanediol butyl ether 88.71
    triethyl orthoformate 57.89
    p-tert-butyltoluene 25.71
    methyl 4-tert-butylbenzoate 102.1
    morpholine 412.45
    tert-butylamine 125.97
    n-dodecanol 20.5
    dimethoxymethane 241.37
    ethylene carbonate 181.29
    cyrene 138.88
    2-ethoxyethyl acetate 90.89
    2-ethylhexyl acetate 52.38
    1,2,4-trichlorobenzene 171.6
    4-methylpyridine 341.6
    dibutyl ether 58.74
    2,6-dimethyl-4-heptanol 22.24
    DEF 238.68
    dimethyl isosorbide 202.3
    tetrachloroethylene 251.8
    eugenol 100.07
    triacetin 147.42
    span 80 96.88
    1,4-butanediol 58.13
    1,1-dichloroethane 278.32
    2-methyl-1-pentanol 62.88
    methyl formate 251.7
    2-methyl-1-butanol 75.71
    n-decane 7.29
    butyronitrile 145.07
    3,7-dimethyl-1-octanol 38.27
    1-chlorooctane 29.04
    1-chlorotetradecane 13.03
    n-nonane 6.87
    undecane 5.39
    tert-butylcyclohexane 12.13
    cyclooctane 5.75
    cyclopentanol 179.76
    tetrahydropyran 242.9
    tert-amyl methyl ether 100.47
    2,5,8-trioxanonane 213.96
    1-hexene 50.17
    2-isopropoxyethanol 109.45
    2,2,2-trifluoroethanol 190.39
    methyl butyrate 134.96

    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