1,3-Propanediol dicaprylate

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  • Identifiers

    CAS number
    56519-71-2

    Molecular formula
    C19H36O4

    SMILES
    CCCCCCCC(=O)OCCCOC(=O)CCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 74.84%
    Oily 66.5%
    Winey 64.62%
    Fatty 61.21%
    Cognac 45.85%
    Waxy 41.84%
    Sweet 36.07%
    Fermented 35.66%
    Peach 32.39%
    Green 31.79%

     

    Flavor
    Fruity 77.29%
    Waxy 68.61%
    Sweet 54.34%
    Green 50.63%
    Oily 46.98%
    Wine 45.0%
    Pear 43.27%
    Apple 43.0%
    Soapy 40.67%
    Tropical 40.63%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.4

    pKa est.
    6.93 (neutral)

    Molecular weight
    328.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    367°C

    Flash point

    • 168.21 ˚C est.

  • Synonyms

    • propanediol dicaprylate
    • 56519-71-2
    • 1,3-propanediol dicaprylate
    • C577OMC6UH
    • DUB ZENOAT
    • DTXSID5074058
    • RefChem:868976
    • DTXCID0042082
    • 700-003-3
    • Octanoic acid, 1,3-propanediyl ester
    • propane-1,3-diyl dioctanoate
    • 3-octanoyloxypropyl octanoate
    • UNII-C577OMC6UH
    • EC 700-003-3
    • SCHEMBL3505609
    • SCHEMBL11039563
    • SCHEMBL16829930
    • XBBMJUWOCGWHRP-UHFFFAOYSA-N
    • 1,3-PROPANEDIOL DIOCTANOATE
    • OCTANOIC ACID, TRIMETHYLENE ESTER
    • NS00001359
    • OCTANOIC ACID, 1,1'-(1,3-PROPANEDIYL) ESTER
    • Q27275208
    • 56519-71-2

  • Applications

    1,3-Propanediol dicaprylate (CAS 56519-71-2) is the diester of caprylic acid with 1,3-propanediol. It is commonly used as an emollient and solvent in cosmetics and personal care formulations; it also functions as a plasticizer or processing aid in polymer systems and in coatings, inks, and adhesives to improve flow and flexibility. As an industrial intermediate, it can serve as a precursor to other esters or cosmetic ingredients. In perfumery, it may act as a fragrance carrier/solvent, helping to dissolve and distribute aroma compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 99.04
    methanol 160.33
    isopropanol 119.8
    water 0.17
    ethyl acetate 676.52
    n-propanol 128.03
    acetone 712.97
    n-butanol 135.14
    acetonitrile 329.25
    DMF 1100.63
    toluene 332.52
    isobutanol 139.85
    1,4-dioxane 526.75
    methyl acetate 508.5
    THF 1331.21
    2-butanone 656.2
    n-pentanol 118.98
    sec-butanol 153.28
    n-hexane 29.19
    ethylene glycol 13.43
    NMP 2187.37
    cyclohexane 119.35
    DMSO 1466.7
    n-butyl acetate 492.93
    n-octanol 102.59
    chloroform 1915.52
    n-propyl acetate 662.26
    acetic acid 407.91
    dichloromethane 2354.91
    cyclohexanone 1892.22
    propylene glycol 35.63
    isopropyl acetate 566.85
    DMAc 1660.24
    2-ethoxyethanol 286.73
    isopentanol 180.28
    n-heptane 17.63
    ethyl formate 323.49
    1,2-dichloroethane 1510.84
    n-hexanol 84.3
    2-methoxyethanol 367.12
    isobutyl acetate 382.57
    tetrachloromethane 300.61
    n-pentyl acetate 628.79
    transcutol 1447.92
    n-heptanol 86.03
    ethylbenzene 183.76
    MIBK 533.85
    2-propoxyethanol 248.52
    tert-butanol 232.67
    MTBE 370.25
    2-butoxyethanol 267.39
    propionic acid 316.25
    o-xylene 265.48
    formic acid 99.15
    diethyl ether 297.64
    m-xylene 228.13
    p-xylene 284.46
    chlorobenzene 633.4
    dimethyl carbonate 223.64
    n-octane 11.55
    formamide 228.85
    cyclopentanone 1850.47
    2-pentanone 682.07
    anisole 369.04
    cyclopentyl methyl ether 779.3
    gamma-butyrolactone 1882.15
    1-methoxy-2-propanol 365.24
    pyridine 889.01
    3-pentanone 594.18
    furfural 1332.48
    n-dodecane 8.79
    diethylene glycol 133.66
    diisopropyl ether 124.66
    tert-amyl alcohol 271.0
    acetylacetone 1032.11
    n-hexadecane 11.05
    acetophenone 566.8
    methyl propionate 565.63
    isopentyl acetate 470.4
    trichloroethylene 2723.64
    n-nonanol 101.89
    cyclohexanol 375.91
    benzyl alcohol 258.66
    2-ethylhexanol 99.5
    isooctanol 92.63
    dipropyl ether 205.44
    1,2-dichlorobenzene 714.99
    ethyl lactate 221.82
    propylene carbonate 986.16
    n-methylformamide 398.61
    2-pentanol 119.63
    n-pentane 18.39
    1-propoxy-2-propanol 248.98
    1-methoxy-2-propyl acetate 488.34
    2-(2-methoxypropoxy) propanol 295.6
    mesitylene 152.31
    ε-caprolactone 1507.39
    p-cymene 107.74
    epichlorohydrin 1754.26
    1,1,1-trichloroethane 1406.46
    2-aminoethanol 52.56
    morpholine-4-carbaldehyde 1234.24
    sulfolane 2874.84
    2,2,4-trimethylpentane 25.28
    2-methyltetrahydrofuran 991.23
    n-hexyl acetate 607.26
    isooctane 12.82
    2-(2-butoxyethoxy)ethanol 377.54
    sec-butyl acetate 451.6
    tert-butyl acetate 682.22
    decalin 57.14
    glycerin 73.56
    diglyme 978.21
    acrylic acid 262.87
    isopropyl myristate 175.6
    n-butyric acid 599.47
    acetyl acetate 522.09
    di(2-ethylhexyl) phthalate 168.15
    ethyl propionate 555.46
    nitromethane 1127.8
    1,2-diethoxyethane 492.39
    benzonitrile 432.73
    trioctyl phosphate 116.32
    1-bromopropane 627.72
    gamma-valerolactone 2213.85
    n-decanol 65.11
    triethyl phosphate 245.55
    4-methyl-2-pentanol 92.4
    propionitrile 285.68
    vinylene carbonate 788.96
    1,1,2-trichlorotrifluoroethane 1068.63
    DMS 458.95
    cumene 119.96
    2-octanol 87.1
    2-hexanone 514.15
    octyl acetate 226.1
    limonene 188.4
    1,2-dimethoxyethane 781.3
    ethyl orthosilicate 219.31
    tributyl phosphate 182.56
    diacetone alcohol 563.05
    N,N-dimethylaniline 270.04
    acrylonitrile 391.22
    aniline 324.59
    1,3-propanediol 110.69
    bromobenzene 784.88
    dibromomethane 1342.49
    1,1,2,2-tetrachloroethane 2184.56
    2-methyl-cyclohexyl acetate 369.9
    tetrabutyl urea 256.97
    diisobutyl methanol 77.84
    2-phenylethanol 189.84
    styrene 253.65
    dioctyl adipate 331.28
    dimethyl sulfate 575.42
    ethyl butyrate 456.23
    methyl lactate 230.6
    butyl lactate 372.39
    diethyl carbonate 280.48
    propanediol butyl ether 251.22
    triethyl orthoformate 305.45
    p-tert-butyltoluene 97.69
    methyl 4-tert-butylbenzoate 464.37
    morpholine 772.43
    tert-butylamine 138.72
    n-dodecanol 45.55
    dimethoxymethane 512.47
    ethylene carbonate 683.19
    cyrene 380.28
    2-ethoxyethyl acetate 716.91
    2-ethylhexyl acetate 393.25
    1,2,4-trichlorobenzene 846.93
    4-methylpyridine 996.07
    dibutyl ether 271.79
    2,6-dimethyl-4-heptanol 77.84
    DEF 964.07
    dimethyl isosorbide 690.02
    tetrachloroethylene 1384.63
    eugenol 342.5
    triacetin 724.41
    span 80 289.28
    1,4-butanediol 52.1
    1,1-dichloroethane 1178.59
    2-methyl-1-pentanol 155.44
    methyl formate 283.89
    2-methyl-1-butanol 171.3
    n-decane 19.2
    butyronitrile 312.98
    3,7-dimethyl-1-octanol 113.21
    1-chlorooctane 130.57
    1-chlorotetradecane 39.75
    n-nonane 17.97
    undecane 12.09
    tert-butylcyclohexane 39.38
    cyclooctane 27.41
    cyclopentanol 392.76
    tetrahydropyran 779.33
    tert-amyl methyl ether 357.12
    2,5,8-trioxanonane 545.08
    1-hexene 118.69
    2-isopropoxyethanol 243.37
    2,2,2-trifluoroethanol 211.9
    methyl butyrate 819.35

    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