Propylene Glycol Diethylhexanoate

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  • Identifiers

    CAS number
    93981-97-6

    Molecular formula
    C19H36O4

    SMILES
    CCCCC(CC)C(=O)OCC(C)OC(=O)C(CC)CCCC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 70.56%
    Herbal 46.75%
    Oily 42.21%
    Fatty 40.42%
    Woody 34.99%
    Waxy 25.62%
    Lactonic 24.73%
    Peach 23.19%
    Fresh 23.08%
    Winey 22.1%

     

    Flavor
    Fruity 67.21%
    Waxy 46.68%
    Green 42.28%
    Oily 33.96%
    Apple 31.1%
    Berry 29.59%
    Tropical 27.66%
    Fatty 27.24%
    Wine 26.63%
    Sweet 26.45%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.1

    pKa est.
    6.56 (neutral)

    Molecular weight
    328.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    325°C

    Flash point

    • 153.99 ˚C est.

  • Synonyms

    • Propylene glycol diethylhexanoate
    • 1-Methylethylene 2-ethylhexanoate
    • 8D8I9Z0F1Z
    • EINECS 301-185-3
    • DUB DOPG
    • LEXOL PG 800
    • PG DIOCTANOATE [VANDF]
    • PROPYLENE GLYCOL DI(2-ETHYLHEXANOATE)
    • 2-ETHYLHEXANOIC ACID, 1-METHYL-1,2-ETHANDIYL ESTER
    • PG DIOCTANOATE
    • RefChem:869796
    • PROPYLENE GLYCOL DIETHYLHEXANOATE [INCI]
    • 93981-97-6
    • UNII-8D8I9Z0F1Z
    • 2-(2-ethylhexanoyloxy)propyl 2-ethylhexanoate
    • SCHEMBL149487
    • DTXSID50869169
    • RYKSMKFLIHUEBL-UHFFFAOYSA-N
    • 1,2-Propanediyl bis(2-ethylhexanoate)
    • Propane-1,2-diyl bis(2-ethylhexanoate)
    • PROPYLENE GLYCOL DIOCTANOATE [VANDF]
    • NS00039851
    • Q27270218
    • 93981-97-6

  • Applications

    Propylene Glycol Diethylhexanoate (CAS 93981-97-6) is the diester of propylene glycol and diethylhexanoic acid, primarily used as a solvent and carrier for fragrance materials in the perfume/fragrance industry and in cosmetic formulations. It also acts as an emollient and solvent in skin-care and color cosmetics, providing a light feel and improved spreadability. In coatings, paints, and inks, it serves as a solvent and plasticizer that helps improve flow, film formation, and substrate compatibility. As a plasticizer for polymers, it is used to increase flexibility and durability of films in plastics such as PVC and other polymers. Additionally, it can function as an intermediate in chemical synthesis to prepare other esters or organic compounds, making it a valuable component in formulation synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1690.87
    methanol 1493.1
    isopropanol 1982.05
    water 0.95
    ethyl acetate 4526.53
    n-propanol 1943.68
    acetone 4777.78
    n-butanol 1918.78
    acetonitrile 2899.19
    DMF 3407.67
    toluene 2392.74
    isobutanol 1871.8
    1,4-dioxane 3913.37
    methyl acetate 3300.29
    THF 5039.46
    2-butanone 4350.33
    n-pentanol 1403.21
    sec-butanol 2432.53
    n-hexane 363.07
    ethylene glycol 97.89
    NMP 4681.69
    cyclohexane 1203.18
    DMSO 3118.4
    n-butyl acetate 2806.39
    n-octanol 790.22
    chloroform 8987.09
    n-propyl acetate 3095.4
    acetic acid 2138.48
    dichloromethane 9828.26
    cyclohexanone 8207.78
    propylene glycol 247.32
    isopropyl acetate 3006.16
    DMAc 3826.58
    2-ethoxyethanol 1657.07
    isopentanol 1916.97
    n-heptane 138.42
    ethyl formate 2025.93
    1,2-dichloroethane 7019.02
    n-hexanol 1013.25
    2-methoxyethanol 1945.9
    isobutyl acetate 1640.19
    tetrachloromethane 1895.94
    n-pentyl acetate 2757.3
    transcutol 3758.26
    n-heptanol 714.65
    ethylbenzene 1210.38
    MIBK 2152.68
    2-propoxyethanol 1433.1
    tert-butanol 2104.21
    MTBE 3159.4
    2-butoxyethanol 1353.39
    propionic acid 1826.36
    o-xylene 1491.4
    formic acid 392.68
    diethyl ether 3165.73
    m-xylene 1250.03
    p-xylene 1847.22
    chlorobenzene 3595.16
    dimethyl carbonate 876.34
    n-octane 102.76
    formamide 847.72
    cyclopentanone 6154.57
    2-pentanone 3847.39
    anisole 1679.42
    cyclopentyl methyl ether 3476.33
    gamma-butyrolactone 5754.73
    1-methoxy-2-propanol 1690.53
    pyridine 5130.42
    3-pentanone 3114.54
    furfural 3768.53
    n-dodecane 62.86
    diethylene glycol 622.83
    diisopropyl ether 1041.65
    tert-amyl alcohol 2547.19
    acetylacetone 3706.14
    n-hexadecane 78.29
    acetophenone 2026.34
    methyl propionate 2778.18
    isopentyl acetate 2456.0
    trichloroethylene 10700.46
    n-nonanol 661.78
    cyclohexanol 3224.84
    benzyl alcohol 1360.42
    2-ethylhexanol 826.14
    isooctanol 656.86
    dipropyl ether 1079.23
    1,2-dichlorobenzene 2944.4
    ethyl lactate 724.43
    propylene carbonate 3093.51
    n-methylformamide 1723.21
    2-pentanol 1727.49
    n-pentane 310.9
    1-propoxy-2-propanol 1273.35
    1-methoxy-2-propyl acetate 1729.88
    2-(2-methoxypropoxy) propanol 844.84
    mesitylene 785.86
    ε-caprolactone 6245.48
    p-cymene 544.63
    epichlorohydrin 6024.3
    1,1,1-trichloroethane 6727.82
    2-aminoethanol 402.6
    morpholine-4-carbaldehyde 3192.87
    sulfolane 5418.88
    2,2,4-trimethylpentane 226.78
    2-methyltetrahydrofuran 5492.44
    n-hexyl acetate 2681.48
    isooctane 109.11
    2-(2-butoxyethoxy)ethanol 1241.87
    sec-butyl acetate 2065.55
    tert-butyl acetate 2592.51
    decalin 377.53
    glycerin 284.73
    diglyme 2899.46
    acrylic acid 1217.27
    isopropyl myristate 675.19
    n-butyric acid 3383.4
    acetyl acetate 2580.61
    di(2-ethylhexyl) phthalate 582.15
    ethyl propionate 2448.58
    nitromethane 3942.34
    1,2-diethoxyethane 2286.83
    benzonitrile 2190.7
    trioctyl phosphate 446.45
    1-bromopropane 4315.99
    gamma-valerolactone 6469.39
    n-decanol 404.57
    triethyl phosphate 676.0
    4-methyl-2-pentanol 834.63
    propionitrile 2483.94
    vinylene carbonate 2464.79
    1,1,2-trichlorotrifluoroethane 2640.68
    DMS 1507.43
    cumene 684.99
    2-octanol 735.13
    2-hexanone 2512.82
    octyl acetate 902.08
    limonene 972.49
    1,2-dimethoxyethane 3282.39
    ethyl orthosilicate 644.93
    tributyl phosphate 593.19
    diacetone alcohol 1819.02
    N,N-dimethylaniline 1056.11
    acrylonitrile 2390.39
    aniline 2028.42
    1,3-propanediol 870.34
    bromobenzene 4163.7
    dibromomethane 7056.16
    1,1,2,2-tetrachloroethane 8431.15
    2-methyl-cyclohexyl acetate 1230.66
    tetrabutyl urea 740.7
    diisobutyl methanol 458.44
    2-phenylethanol 1029.03
    styrene 1542.17
    dioctyl adipate 969.23
    dimethyl sulfate 1350.6
    ethyl butyrate 1848.45
    methyl lactate 744.8
    butyl lactate 1337.59
    diethyl carbonate 1058.65
    propanediol butyl ether 984.5
    triethyl orthoformate 1033.2
    p-tert-butyltoluene 470.36
    methyl 4-tert-butylbenzoate 1305.74
    morpholine 4747.56
    tert-butylamine 1394.66
    n-dodecanol 276.8
    dimethoxymethane 2020.64
    ethylene carbonate 2570.59
    cyrene 987.25
    2-ethoxyethyl acetate 2557.78
    2-ethylhexyl acetate 1949.37
    1,2,4-trichlorobenzene 3183.23
    4-methylpyridine 5167.81
    dibutyl ether 1334.43
    2,6-dimethyl-4-heptanol 458.44
    DEF 4010.85
    dimethyl isosorbide 1621.14
    tetrachloroethylene 5592.18
    eugenol 1096.54
    triacetin 1737.55
    span 80 876.12
    1,4-butanediol 458.62
    1,1-dichloroethane 6785.73
    2-methyl-1-pentanol 1475.51
    methyl formate 1264.81
    2-methyl-1-butanol 1996.34
    n-decane 138.31
    butyronitrile 3051.78
    3,7-dimethyl-1-octanol 725.52
    1-chlorooctane 794.52
    1-chlorotetradecane 218.17
    n-nonane 142.09
    undecane 85.85
    tert-butylcyclohexane 249.06
    cyclooctane 252.01
    cyclopentanol 2770.97
    tetrahydropyran 5836.79
    tert-amyl methyl ether 2321.14
    2,5,8-trioxanonane 1419.19
    1-hexene 1284.44
    2-isopropoxyethanol 1285.61
    2,2,2-trifluoroethanol 808.02
    methyl butyrate 3616.97

    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