1,3-Diolein

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  • Identifiers

    CAS number
    2465-32-9

    Molecular formula
    C39H72O5

    SMILES
    CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\CCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 71.28%
    Waxy 63.26%
    Oily 56.04%
    Odorless 30.56%
    Sweet 27.74%
    Creamy 24.17%
    Buttery 22.04%
    Dairy 20.19%
    Milky 18.59%
    Fishy 16.28%

     

    Flavor
    Waxy 43.82%
    Fatty 38.9%
    Mild 34.94%
    Faint 34.26%
    Oily 32.82%
    Bland 31.18%
    Slightly waxy 23.14%
    Odorless 22.15%
    Bay oil 21.56%
    Fat 21.41%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    14.3

    pKa est.
    9.32 (weak base)

    Molecular weight
    621.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    728°C

    Flash point

    • 259.16 ˚C est.

  • Synonyms

    • 1,3-Diolein
    • 2465-32-9
    • Glycerol 1,3-dioleate
    • ERF7S0XX7K
    • [2-hydroxy-3-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
    • 9-Octadecenoic acid (Z)-, 2-hydroxy-1,3-propanediyl ester
    • DTXSID901030990
    • (2-hydroxy-3-((Z)-octadec-9-enoyl)oxypropyl) (Z)-octadec-9-enoate
    • RefChem:663492
    • GlyTouCan:G96740LQ
    • DTXCID301516043
    • G96740LQ
    • 1,3-di-(cis-9-octadecenoyl)glycerol
    • 1,3-Dioleoylglycerol
    • 2-Hydroxy-1,3-propanediyl dioleate
    • Glyceryl 1,3-dioleate
    • sn-1,3-Dioleoylglycerol
    • 2-Hydroxypropane-1,3-diyl dioleate
    • (Z,Z)-1,3-Dioctadecenoyl glycerol
    • Diacylglycerol(18:1/0:0/18:1)
    • DAG(18:1/0:0/18:1)
    • DG(18:1/0:0/18:1)
    • 9-Octadecenoic acid (9Z)-, diester with 1,2,3-propanetriol
    • 1,3-Dioleoyl Glycerol
    • 9-Octadecenoic acid (9Z)-, 1,1'-(2-hydroxy-1,3-propanediyl) ester
    • 1,3-O-dioleoylglycerol
    • UNII-ERF7S0XX7K
    • 1,3-Di(cis-9-octadecenoyl)glycerol
    • MFCD00042913
    • EINECS 219-569-3
    • glyceryl-1,3-dioleate
    • 1,3-GLYCERYL DIOLEATE
    • 1-Oleoyl-3-oleoyl-sn-glycerol
    • OLEIN, 1,3-DI-
    • orb2283051
    • orb3026120
    • SCHEMBL3189369
    • CHEMBL4126969
    • CHEBI:75735
    • MSK2034
    • 9-Octadecenoic acid (9Z)-, 2-hydroxy-1,3-propanediyl ester
    • 1,3-di-(9Z-octadecenoyl)-glycerol
    • Olein, 1,3-di- (7CI,8CI)
    • 1,3-Diolein, >=99% (GC)
    • AKOS024438285
    • AT44904
    • AS-83526
    • BP-43437
    • DAG(18:1omega9/0:0/18:1omega9)
    • DG(18:1omega9/0:0/18:1omega9)
    • FD161412
    • Diacylglycerol(18:1n9/0:0/18:1n9)
    • Diacylglycerol(18:1w9/0:0/18:1w9)
    • CS-0643326
    • NS00081508
    • DAG(18:1n9/0:0/18:1n9)
    • DAG(18:1w9/0:0/18:1w9)
    • DG(18:1n9/0:0/18:1n9)
    • DG(18:1w9/0:0/18:1w9)
    • Diacylglycerol(18:1omega9/0:0/18:1omega9)
    • DG(18:1(omega-9)/0:0/18:1(omega-9))
    • 1-(9Z-Octadecenoyl)-3-(9Z-octadecenoyl)-sn-glycerol
    • Q27145509
    • 2-hydroxypropane-1,3-diyl (9Z,9'Z)bis-octadec-9-enoate
    • 257044F5-73E6-431D-83A8-070E3E0E7835
    • 9-Octadecenoic acid (9Z)-, 2-hydroxy-1,3-propanediyl ester (9CI)
    • 9-octadecenoic acid, 2-hydroxy-1,3-propanediyl ester, (9Z,9'Z)-
    • [2-hydroxy-3-[(Z)-octadec-9-enoyl]oxy-propyl] (Z)-octadec-9-enoate
    • 2465-32-9

  • Applications

    1,3-Diolein is a diacylglycerol in which oleoyl groups occupy the 1 and 3 positions of glycerol. In practice, it is used as an intermediate in lipid and ester synthesis and, depending on formulation, can function as a surfactant and emulsifier in cosmetics and personal care. It also serves as an emollient and carrier oil in topical products. In industrial manufacturing, it may be used as a processing aid, including as a plasticizer or lubricant in certain polymer formulations. In food processing, it may be used as an emulsifier or fat replacer in specific applications. It can also appear as a component in coatings or inks where it provides lubricating or plasticizing properties.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.57
    methanol 2.12
    isopropanol 1.52
    water 0.03
    ethyl acetate 22.71
    n-propanol 2.73
    acetone 15.25
    n-butanol 2.95
    acetonitrile 4.47
    DMF 28.3
    toluene 14.03
    isobutanol 2.57
    1,4-dioxane 23.61
    methyl acetate 15.82
    THF 73.95
    2-butanone 22.5
    n-pentanol 4.15
    sec-butanol 3.78
    n-hexane 3.2
    ethylene glycol 0.3
    NMP 148.57
    cyclohexane 8.62
    DMSO 40.21
    n-butyl acetate 21.38
    n-octanol 8.87
    chloroform 91.92
    n-propyl acetate 24.97
    acetic acid 10.82
    dichloromethane 91.96
    cyclohexanone 74.05
    propylene glycol 0.87
    isopropyl acetate 21.79
    DMAc 110.35
    2-ethoxyethanol 11.55
    isopentanol 3.92
    n-heptane 3.08
    ethyl formate 10.16
    1,2-dichloroethane 47.96
    n-hexanol 3.62
    2-methoxyethanol 8.45
    isobutyl acetate 16.77
    tetrachloromethane 19.76
    n-pentyl acetate 46.09
    transcutol 92.2
    n-heptanol 6.4
    ethylbenzene 13.13
    MIBK 18.68
    2-propoxyethanol 12.63
    tert-butanol 3.88
    MTBE 13.99
    2-butoxyethanol 22.19
    propionic acid 8.38
    o-xylene 16.05
    formic acid 2.63
    diethyl ether 9.08
    m-xylene 11.8
    p-xylene 17.7
    chlorobenzene 25.76
    dimethyl carbonate 13.43
    n-octane 2.13
    formamide 4.85
    cyclopentanone 83.5
    2-pentanone 22.09
    anisole 22.48
    cyclopentyl methyl ether 42.64
    gamma-butyrolactone 83.92
    1-methoxy-2-propanol 10.68
    pyridine 32.12
    3-pentanone 27.07
    furfural 58.62
    n-dodecane 1.32
    diethylene glycol 4.25
    diisopropyl ether 6.85
    tert-amyl alcohol 8.11
    acetylacetone 41.38
    n-hexadecane 1.59
    acetophenone 36.76
    methyl propionate 22.46
    isopentyl acetate 23.67
    trichloroethylene 109.58
    n-nonanol 10.48
    cyclohexanol 10.77
    benzyl alcohol 10.46
    2-ethylhexanol 6.29
    isooctanol 7.81
    dipropyl ether 16.64
    1,2-dichlorobenzene 40.63
    ethyl lactate 13.87
    propylene carbonate 50.92
    n-methylformamide 8.65
    2-pentanol 3.4
    n-pentane 1.57
    1-propoxy-2-propanol 16.48
    1-methoxy-2-propyl acetate 31.04
    2-(2-methoxypropoxy) propanol 31.65
    mesitylene 9.18
    ε-caprolactone 76.73
    p-cymene 10.33
    epichlorohydrin 76.18
    1,1,1-trichloroethane 67.79
    2-aminoethanol 1.1
    morpholine-4-carbaldehyde 62.48
    sulfolane 180.27
    2,2,4-trimethylpentane 3.29
    2-methyltetrahydrofuran 50.27
    n-hexyl acetate 45.69
    isooctane 1.28
    2-(2-butoxyethoxy)ethanol 34.44
    sec-butyl acetate 24.47
    tert-butyl acetate 36.4
    decalin 6.79
    glycerin 2.06
    diglyme 81.55
    acrylic acid 7.19
    isopropyl myristate 15.48
    n-butyric acid 16.3
    acetyl acetate 24.28
    di(2-ethylhexyl) phthalate 15.69
    ethyl propionate 27.79
    nitromethane 28.62
    1,2-diethoxyethane 37.31
    benzonitrile 14.11
    trioctyl phosphate 10.4
    1-bromopropane 22.87
    gamma-valerolactone 104.49
    n-decanol 6.43
    triethyl phosphate 25.51
    4-methyl-2-pentanol 3.54
    propionitrile 5.87
    vinylene carbonate 38.84
    1,1,2-trichlorotrifluoroethane 59.78
    DMS 28.44
    cumene 10.54
    2-octanol 7.18
    2-hexanone 25.86
    octyl acetate 19.01
    limonene 16.93
    1,2-dimethoxyethane 33.82
    ethyl orthosilicate 24.88
    tributyl phosphate 14.96
    diacetone alcohol 27.24
    N,N-dimethylaniline 24.03
    acrylonitrile 7.05
    aniline 9.98
    1,3-propanediol 2.08
    bromobenzene 34.27
    dibromomethane 48.46
    1,1,2,2-tetrachloroethane 118.03
    2-methyl-cyclohexyl acetate 32.79
    tetrabutyl urea 25.56
    diisobutyl methanol 5.93
    2-phenylethanol 9.5
    styrene 13.06
    dioctyl adipate 28.94
    dimethyl sulfate 43.34
    ethyl butyrate 29.56
    methyl lactate 11.28
    butyl lactate 31.68
    diethyl carbonate 18.37
    propanediol butyl ether 16.63
    triethyl orthoformate 32.01
    p-tert-butyltoluene 9.99
    methyl 4-tert-butylbenzoate 52.19
    morpholine 27.07
    tert-butylamine 3.04
    n-dodecanol 4.39
    dimethoxymethane 19.47
    ethylene carbonate 32.44
    cyrene 40.34
    2-ethoxyethyl acetate 55.94
    2-ethylhexyl acetate 23.83
    1,2,4-trichlorobenzene 54.4
    4-methylpyridine 29.74
    dibutyl ether 23.88
    2,6-dimethyl-4-heptanol 5.93
    DEF 38.12
    dimethyl isosorbide 81.98
    tetrachloroethylene 66.09
    eugenol 34.5
    triacetin 66.47
    span 80 27.06
    1,4-butanediol 1.52
    1,1-dichloroethane 35.94
    2-methyl-1-pentanol 6.62
    methyl formate 7.95
    2-methyl-1-butanol 4.78
    n-decane 3.18
    butyronitrile 6.14
    3,7-dimethyl-1-octanol 10.2
    1-chlorooctane 13.7
    1-chlorotetradecane 4.27
    n-nonane 2.9
    undecane 1.92
    tert-butylcyclohexane 4.54
    cyclooctane 3.95
    cyclopentanol 10.64
    tetrahydropyran 32.94
    tert-amyl methyl ether 20.79
    2,5,8-trioxanonane 50.2
    1-hexene 7.07
    2-isopropoxyethanol 10.94
    2,2,2-trifluoroethanol 7.92
    methyl butyrate 35.33

    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