(1S)-1-(Hydroxymethyl)-2-((1-oxooctadecyl)oxy)ethyl (9Z)-9-octadecenoate

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  • Identifiers

    CAS number
    53702-48-0

    Molecular formula
    C39H74O5

    SMILES
    CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 69.12%
    Fatty 67.76%
    Oily 51.21%
    Odorless 34.61%
    Creamy 23.94%
    Sweet 23.62%
    Buttery 19.82%
    Dairy 18.91%
    Milky 18.05%
    Savory 15.69%

     

    Flavor
    Waxy 50.49%
    Fatty 44.56%
    Mild 40.94%
    Oily 38.46%
    Bland 35.61%
    Faint 34.81%
    Fat 25.96%
    Odorless 25.91%
    Soapy 24.67%
    Slightly waxy 24.33%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    15.3

    pKa est.
    9.07 (weak base)

    Molecular weight
    623.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    731°C

    Flash point

    • 258.99 ˚C est.

  • Synonyms

    • 1-Stearoyl-2-oleoyl-sn-glycerol
    • sn-Sodg
    • 53702-48-0
    • DTXSID301150231
    • VL8TL457DV
    • 9-Octadecenoic acid (Z)-, 1-(hydroxymethyl)-2-((1-oxooctadecyl)oxy)ethyl ester, (S)-
    • (1S)-1-(Hydroxymethyl)-2-[(1-oxooctadecyl)oxy]ethyl (9Z)-9-octadecenoate
    • (1S)-1-(Hydroxymethyl)-2-((1-oxooctadecyl)oxy)ethyl (9Z)-9-octadecenoate
    • 1-(Hydroxymethyl)-2-((1-oxooctadecyl)oxy)ethyl (9Z)-9-octadecenoate, (1S)-
    • 1-(Hydroxymethyl)-2-[(1-oxooctadecyl)oxy]ethyl (9Z)-9-octadecenoate, (1S)-
    • RefChem:905713
    • GlyTouCan:G65184KI
    • DTXCID401581786
    • G65184KI
    • 1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol
    • [(2S)-3-hydroxy-2-[(Z)-octadec-9-enoyl]oxypropyl] octadecanoate
    • 1-octadecanoyl-2-[(9Z)-octadecenoyl]-sn-glycerol
    • DG(18:0/18:1(9Z)/0:0)
    • (2S)-1-hydroxy-3-(octadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate
    • DG(18:0/18:1/0:0)[iso2]
    • DG(18:0_18:1)
    • 1-STERAOYL-2-OLEOYL-SN-GLYCEROL
    • LMGL02010043
    • SCHEMBL7917740
    • CHEBI:75468
    • Diacylglycerol(18:0/18:1n9)
    • Diacylglycerol(18:0/18:1w9)
    • DAG(18:0/18:1n9)
    • DAG(18:0/18:1w9)
    • DG(18:0/18:1n9)
    • DG(18:0/18:1w9)
    • DB-250484
    • DG(18:0/18:1(9Z)/0:0)[iso2]
    • Q27105044
    • ((2S)-2-Octadec-9-enoyloxy-3-oxidanyl-propyl) octadecanoate
    • [(2S)-3-Hydroxy-2-[(Z)-octadec-9-enoyl]oxypropyl]octadecanoate
    • 9-Octadecenoic acid (9Z)-, (1S)-1-(hydroxymethyl)-2-[(1-oxooctadecyl)oxy]ethyl ester
    • 53702-48-0

  • Applications

    The chemical (1S)-1-(Hydroxymethyl)-2-((1-oxooctadecyl)oxy)ethyl (9Z)-9-octadecenoate (CAS 53702-48-0) is a long-chain lipophilic fatty ester that is used as an emollient and carrier oil in cosmetics and personal care formulations; it also functions as a plasticizer and wax-like additive in polymer processing and coatings, helping to improve flexibility, gloss, and water resistance. It is employed as an industrial lubricant or lubricant additive in specialty applications, and serves as an intermediate in the synthesis of lipid-like esters and related specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.5
    methanol 5.81
    isopropanol 4.86
    water 0.11
    ethyl acetate 67.77
    n-propanol 8.19
    acetone 42.22
    n-butanol 8.89
    acetonitrile 14.53
    DMF 82.64
    toluene 33.07
    isobutanol 8.03
    1,4-dioxane 60.45
    methyl acetate 48.86
    THF 164.06
    2-butanone 61.06
    n-pentanol 10.55
    sec-butanol 11.48
    n-hexane 7.76
    ethylene glycol 0.97
    NMP 367.92
    cyclohexane 25.24
    DMSO 111.41
    n-butyl acetate 57.01
    n-octanol 20.51
    chloroform 209.29
    n-propyl acetate 68.93
    acetic acid 33.89
    dichloromethane 223.4
    cyclohexanone 189.79
    propylene glycol 2.61
    isopropyl acetate 60.88
    DMAc 283.92
    2-ethoxyethanol 28.86
    isopentanol 11.01
    n-heptane 7.09
    ethyl formate 30.61
    1,2-dichloroethane 125.9
    n-hexanol 9.42
    2-methoxyethanol 23.59
    isobutyl acetate 42.42
    tetrachloromethane 56.49
    n-pentyl acetate 116.84
    transcutol 179.17
    n-heptanol 16.06
    ethylbenzene 26.83
    MIBK 48.67
    2-propoxyethanol 29.68
    tert-butanol 11.05
    MTBE 35.48
    2-butoxyethanol 50.91
    propionic acid 26.85
    o-xylene 38.39
    formic acid 8.33
    diethyl ether 26.77
    m-xylene 26.67
    p-xylene 37.39
    chlorobenzene 62.03
    dimethyl carbonate 40.33
    n-octane 4.68
    formamide 16.13
    cyclopentanone 208.37
    2-pentanone 60.85
    anisole 49.22
    cyclopentyl methyl ether 102.49
    gamma-butyrolactone 224.66
    1-methoxy-2-propanol 28.82
    pyridine 83.37
    3-pentanone 72.23
    furfural 147.1
    n-dodecane 2.75
    diethylene glycol 11.03
    diisopropyl ether 17.61
    tert-amyl alcohol 22.33
    acetylacetone 107.26
    n-hexadecane 3.32
    acetophenone 82.98
    methyl propionate 66.7
    isopentyl acetate 60.07
    trichloroethylene 269.54
    n-nonanol 23.16
    cyclohexanol 30.01
    benzyl alcohol 23.72
    2-ethylhexanol 15.24
    isooctanol 19.25
    dipropyl ether 38.15
    1,2-dichlorobenzene 92.77
    ethyl lactate 35.02
    propylene carbonate 135.99
    n-methylformamide 27.89
    2-pentanol 10.22
    n-pentane 4.42
    1-propoxy-2-propanol 37.41
    1-methoxy-2-propyl acetate 75.81
    2-(2-methoxypropoxy) propanol 61.32
    mesitylene 21.01
    ε-caprolactone 196.93
    p-cymene 21.9
    epichlorohydrin 188.18
    1,1,1-trichloroethane 173.87
    2-aminoethanol 3.35
    morpholine-4-carbaldehyde 161.63
    sulfolane 444.11
    2,2,4-trimethylpentane 7.89
    2-methyltetrahydrofuran 128.63
    n-hexyl acetate 108.09
    isooctane 2.94
    2-(2-butoxyethoxy)ethanol 67.72
    sec-butyl acetate 60.46
    tert-butyl acetate 89.51
    decalin 14.78
    glycerin 6.0
    diglyme 170.32
    acrylic acid 23.4
    isopropyl myristate 33.15
    n-butyric acid 51.93
    acetyl acetate 69.19
    di(2-ethylhexyl) phthalate 33.77
    ethyl propionate 74.28
    nitromethane 93.1
    1,2-diethoxyethane 79.84
    benzonitrile 34.94
    trioctyl phosphate 23.89
    1-bromopropane 59.48
    gamma-valerolactone 255.98
    n-decanol 14.15
    triethyl phosphate 58.45
    4-methyl-2-pentanol 9.24
    propionitrile 17.16
    vinylene carbonate 105.19
    1,1,2-trichlorotrifluoroethane 149.97
    DMS 74.89
    cumene 21.2
    2-octanol 17.45
    2-hexanone 61.46
    octyl acetate 43.96
    limonene 37.45
    1,2-dimethoxyethane 78.4
    ethyl orthosilicate 55.35
    tributyl phosphate 33.75
    diacetone alcohol 66.56
    N,N-dimethylaniline 48.8
    acrylonitrile 21.05
    aniline 26.83
    1,3-propanediol 6.48
    bromobenzene 78.89
    dibromomethane 122.68
    1,1,2,2-tetrachloroethane 273.88
    2-methyl-cyclohexyl acetate 71.32
    tetrabutyl urea 54.77
    diisobutyl methanol 13.25
    2-phenylethanol 21.13
    styrene 28.52
    dioctyl adipate 64.52
    dimethyl sulfate 123.72
    ethyl butyrate 74.37
    methyl lactate 32.56
    butyl lactate 75.02
    diethyl carbonate 47.74
    propanediol butyl ether 36.48
    triethyl orthoformate 72.66
    p-tert-butyltoluene 20.87
    methyl 4-tert-butylbenzoate 111.98
    morpholine 72.89
    tert-butylamine 8.53
    n-dodecanol 9.47
    dimethoxymethane 52.5
    ethylene carbonate 92.01
    cyrene 81.0
    2-ethoxyethyl acetate 133.85
    2-ethylhexyl acetate 57.7
    1,2,4-trichlorobenzene 129.2
    4-methylpyridine 76.22
    dibutyl ether 50.3
    2,6-dimethyl-4-heptanol 13.25
    DEF 106.86
    dimethyl isosorbide 154.06
    tetrachloroethylene 159.81
    eugenol 71.71
    triacetin 150.91
    span 80 55.94
    1,4-butanediol 4.24
    1,1-dichloroethane 97.7
    2-methyl-1-pentanol 15.89
    methyl formate 25.07
    2-methyl-1-butanol 13.59
    n-decane 6.64
    butyronitrile 17.47
    3,7-dimethyl-1-octanol 21.94
    1-chlorooctane 29.73
    1-chlorotetradecane 9.04
    n-nonane 6.17
    undecane 3.96
    tert-butylcyclohexane 9.51
    cyclooctane 10.28
    cyclopentanol 31.09
    tetrahydropyran 85.64
    tert-amyl methyl ether 51.47
    2,5,8-trioxanonane 100.1
    1-hexene 16.16
    2-isopropoxyethanol 26.96
    2,2,2-trifluoroethanol 27.51
    methyl butyrate 94.5

    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