Propylene glycol dibutyrate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    50980-84-2

    Molecular formula
    C11H20O4

    SMILES
    CCCC(=O)OCC(C)OC(=O)CCC

  • Odor profile

    Fruity 93.37%
    Sweet 58.21%
    Fatty 49.42%
    Pineapple 48.81%
    Buttery 48.64%
    Winey 44.62%
    Apple 40.4%
    Creamy 39.37%
    Tropical 38.18%
    Waxy 35.91%

    Scent© AI

  • Properties

    XLogP3-AA
    2.1

    Molecular weight
    216.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    239°C

    Flash point est.
    118.92 ˚C

    Solubility expt.

    • Practically insoluble or insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Propylene glycol dibutyrate
    • 50980-84-2
    • Propane-1,2-diyl dibutyrate
    • 2-butanoyloxypropyl butanoate
    • Propyleneglycol di-n-Butyrate
    • KQ2A0DW803
    • Butanoic acid, 1-methyl-1,2-ethanediyl ester
    • EINECS 256-888-7
    • Butanoic acid, 1,1'-(1-methyl-1,2-ethanediyl) ester
    • FEMA NO. 4466
    • PROPYLENEGLYCOL DIBUTYRATE
    • BUTYRIC ACID, PROPYLENE ESTER
    • BIBUTYRYL 1,2-PROPYLENEGLYCOL
    • 1,2-Propanediol dibutyrate
    • UNII-KQ2A0DW803
    • 1-butanoyloxypropan-2-yl butanoate
    • propylene dibutyrate
    • SCHEMBL2402716
    • CHEMBL2268842
    • RWNOITVZTGQIRG-UHFFFAOYSA-
    • DTXSID50866173
    • (+/-)-PROPYLENEGLYCOL DIBUTYRATE
    • DB-255999
    • NS00056585
    • PROPYLENEGLYCOL DIBUTYRATE, (+/-)-
    • Q27282379
    • InChI=1/C11H20O4/c1-4-6-10(12)14-8-9(3)15-11(13)7-5-2/h9H,4-8H2,1-3H3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 874.84
    methanol 1339.15
    isopropanol 710.94
    water 1.97
    ethyl acetate 1143.55
    n-propanol 706.39
    acetone 2203.65
    n-butanol 656.6
    acetonitrile 1768.67
    DMF 2326.0
    toluene 610.13
    isobutanol 601.35
    1,4-dioxane 1255.42
    methyl acetate 1090.25
    THF 1575.14
    2-butanone 1283.9
    n-pentanol 544.29
    sec-butanol 791.96
    n-hexane 115.51
    ethylene glycol 151.1
    NMP 2221.92
    cyclohexane 175.52
    DMSO 2589.18
    n-butyl acetate 797.17
    n-octanol 227.44
    chloroform 3631.65
    n-propyl acetate 720.64
    acetic acid 2497.64
    dichloromethane 3716.53
    cyclohexanone 2038.49
    propylene glycol 229.33
    isopropyl acetate 696.36
    DMAc 2168.14
    2-ethoxyethanol 748.3
    isopentanol 576.28
    n-heptane 31.34
    ethyl formate 875.85
    1,2-dichloroethane 2142.3
    n-hexanol 405.89
    2-methoxyethanol 1153.64
    isobutyl acetate 428.83
    tetrachloromethane 400.7
    n-pentyl acetate 505.16
    transcutol 1666.67
    n-heptanol 173.63
    ethylbenzene 371.53
    MIBK 539.29
    2-propoxyethanol 645.51
    tert-butanol 886.25
    MTBE 811.34
    2-butoxyethanol 373.8
    propionic acid 1041.71
    o-xylene 411.67
    formic acid 674.83
    diethyl ether 752.59
    m-xylene 376.89
    p-xylene 541.21
    chlorobenzene 1163.37
    dimethyl carbonate 377.14
    n-octane 21.59
    formamide 869.74
    cyclopentanone 1931.99
    2-pentanone 986.83
    anisole 634.49
    cyclopentyl methyl ether 794.91
    gamma-butyrolactone 2387.37
    1-methoxy-2-propanol 742.97
    pyridine 1587.72
    3-pentanone 811.33
    furfural 1947.48
    n-dodecane 19.39
    diethylene glycol 456.54
    diisopropyl ether 210.55
    tert-amyl alcohol 916.97
    acetylacetone 1303.21
    n-hexadecane 22.82
    acetophenone 780.11
    methyl propionate 840.52
    isopentyl acetate 659.84
    trichloroethylene 4014.12
    n-nonanol 192.72
    cyclohexanol 847.41
    benzyl alcohol 634.66
    2-ethylhexanol 266.34
    isooctanol 156.21
    dipropyl ether 279.81
    1,2-dichlorobenzene 1050.61
    ethyl lactate 304.86
    propylene carbonate 1300.04
    n-methylformamide 1175.09
    2-pentanol 448.44
    n-pentane 76.37
    1-propoxy-2-propanol 464.16
    1-methoxy-2-propyl acetate 579.81
    2-(2-methoxypropoxy) propanol 411.61
    mesitylene 217.79
    ε-caprolactone 1645.26
    p-cymene 180.0
    epichlorohydrin 2108.01
    1,1,1-trichloroethane 1840.33
    2-aminoethanol 342.47
    morpholine-4-carbaldehyde 1503.91
    sulfolane 2730.06
    2,2,4-trimethylpentane 57.31
    2-methyltetrahydrofuran 1321.46
    n-hexyl acetate 683.65
    isooctane 29.81
    2-(2-butoxyethoxy)ethanol 522.72
    sec-butyl acetate 478.06
    tert-butyl acetate 654.18
    decalin 101.16
    glycerin 334.44
    diglyme 1067.26
    acrylic acid 997.71
    isopropyl myristate 217.75
    n-butyric acid 1333.55
    acetyl acetate 937.0
    di(2-ethylhexyl) phthalate 245.84
    ethyl propionate 629.77
    nitromethane 3133.4
    1,2-diethoxyethane 616.23
    benzonitrile 1038.0
    trioctyl phosphate 166.9
    1-bromopropane 1078.43
    gamma-valerolactone 2101.65
    n-decanol 130.21
    triethyl phosphate 273.19
    4-methyl-2-pentanol 239.69
    propionitrile 985.14
    vinylene carbonate 1203.37
    1,1,2-trichlorotrifluoroethane 1519.67
    DMS 588.77
    cumene 228.85
    2-octanol 157.37
    2-hexanone 708.8
    octyl acetate 298.04
    limonene 266.85
    1,2-dimethoxyethane 1361.63
    ethyl orthosilicate 242.71
    tributyl phosphate 258.49
    diacetone alcohol 644.81
    N,N-dimethylaniline 453.49
    acrylonitrile 1318.87
    aniline 712.52
    1,3-propanediol 552.64
    bromobenzene 1288.93
    dibromomethane 2376.11
    1,1,2,2-tetrachloroethane 3253.77
    2-methyl-cyclohexyl acetate 418.6
    tetrabutyl urea 301.06
    diisobutyl methanol 145.42
    2-phenylethanol 440.1
    styrene 503.08
    dioctyl adipate 368.9
    dimethyl sulfate 758.68
    ethyl butyrate 526.06
    methyl lactate 385.26
    butyl lactate 413.57
    diethyl carbonate 403.64
    propanediol butyl ether 405.07
    triethyl orthoformate 327.03
    p-tert-butyltoluene 158.97
    methyl 4-tert-butylbenzoate 461.18
    morpholine 1529.2
    tert-butylamine 534.28
    n-dodecanol 97.57
    dimethoxymethane 868.1
    ethylene carbonate 1021.97
    cyrene 500.49
    2-ethoxyethyl acetate 615.63
    2-ethylhexyl acetate 518.68
    1,2,4-trichlorobenzene 1170.71
    4-methylpyridine 1807.46
    dibutyl ether 341.21
    2,6-dimethyl-4-heptanol 145.42
    DEF 1257.63
    dimethyl isosorbide 692.26
    tetrachloroethylene 1984.12
    eugenol 445.34
    triacetin 622.64
    span 80 389.94
    1,4-butanediol 265.92
    1,1-dichloroethane 2051.49
    2-methyl-1-pentanol 541.57
    methyl formate 973.74
    2-methyl-1-butanol 622.0
    n-decane 35.56
    butyronitrile 1079.56
    3,7-dimethyl-1-octanol 246.19
    1-chlorooctane 189.77
    1-chlorotetradecane 70.57
    n-nonane 35.15
    undecane 24.7
    tert-butylcyclohexane 77.47
    cyclooctane 44.13
    cyclopentanol 802.24
    tetrahydropyran 1281.95
    tert-amyl methyl ether 639.17
    2,5,8-trioxanonane 634.03
    1-hexene 447.17
    2-isopropoxyethanol 507.92
    2,2,2-trifluoroethanol 712.8
    methyl butyrate 940.38

    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