Palmitic acid, monoester with propane-1,2-diol

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  • Identifiers

    CAS number
    3539-33-1

    Molecular formula
    C19H38O3

    SMILES
    CCCCCCCCCCCCCCCC(=O)OCC(C)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 68.35%
    Waxy 66.57%
    Oily 51.02%
    Odorless 35.6%
    Creamy 34.32%
    Buttery 28.9%
    Dairy 27.51%
    Sweet 26.19%
    Milky 26.18%
    Coconut 22.86%

     

    Flavor
    Waxy 66.24%
    Oily 51.02%
    Fatty 50.13%
    Mild 42.88%
    Soapy 41.71%
    Creamy 36.1%
    Coconut 34.75%
    Fruity 33.43%
    Fat 33.14%
    Sweet 30.13%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.2

    pKa est.
    7.61 (neutral)

    Molecular weight
    314.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    382°C

    Flash point

    • 173.2 ˚C est.

  • Synonyms

    • EINECS 249-369-1
    • Palmitic acid, monoester with propane-1,2-diol
    • RefChem:858409
    • 249-369-1
    • 2-hydroxypropyl hexadecanoate
    • 3539-33-1
    • 1-Palmitoyl-1,2-propanediol
    • Propylene glycol 1-palmitate
    • 2-hydroxypropyl palmitate
    • 1-Propylene glycol monopalmitate
    • UNII-34BD3PWM6B
    • 34BD3PWM6B
    • Palmitic acid, 2-hydroxypropyl ester
    • Hexadecanoic acid, 2-hydroxypropyl ester
    • PROPYLENEGLYCOLMONOPALMITATE
    • 29013-28-3
    • SCHEMBL180498
    • SCHEMBL18797298
    • SCHEMBL26101326
    • DTXSID40951623
    • 1,2-Propyleneglycol monopalmitate
    • FAQKRSYDADCZGK-UHFFFAOYSA-N
    • DAA53933
    • PD213069
    • NS00051164
    • Q27256356
    • 29013-28-3

  • Applications

    Palmitic acid, monoester with propane-1,2-diol (CAS number: 3539-33-1) is used primarily as an emollient and surfactant in cosmetics and personal care; it also functions as a co-emulsifier and surface-active processing aid in household cleaners; in the plastics and polymer sector it acts as a plasticizer and processing aid for various polymer systems; in coatings and inks it serves as a lubricant and processing additive to improve flow and dispersion; and it serves as an intermediate building block for synthesizing other fatty acid esters in industrial chemical production.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 60.15
    methanol 87.17
    isopropanol 90.53
    water 0.03
    ethyl acetate 352.09
    n-propanol 85.02
    acetone 218.64
    n-butanol 104.07
    acetonitrile 92.98
    DMF 350.74
    toluene 99.23
    isobutanol 97.81
    1,4-dioxane 320.44
    methyl acetate 210.03
    THF 840.24
    2-butanone 296.96
    n-pentanol 94.73
    sec-butanol 113.76
    n-hexane 27.41
    ethylene glycol 5.51
    NMP 650.23
    cyclohexane 133.03
    DMSO 558.22
    n-butyl acetate 419.21
    n-octanol 107.91
    chloroform 688.62
    n-propyl acetate 496.37
    acetic acid 115.99
    dichloromethane 713.5
    cyclohexanone 900.5
    propylene glycol 19.77
    isopropyl acetate 358.36
    DMAc 629.16
    2-ethoxyethanol 224.63
    isopentanol 159.18
    n-heptane 29.56
    ethyl formate 160.09
    1,2-dichloroethane 559.03
    n-hexanol 90.25
    2-methoxyethanol 208.73
    isobutyl acetate 318.9
    tetrachloromethane 159.53
    n-pentyl acetate 548.88
    transcutol 1058.48
    n-heptanol 98.38
    ethylbenzene 92.4
    MIBK 365.12
    2-propoxyethanol 214.1
    tert-butanol 203.69
    MTBE 302.43
    2-butoxyethanol 277.97
    propionic acid 118.83
    o-xylene 111.11
    formic acid 23.1
    diethyl ether 194.13
    m-xylene 91.57
    p-xylene 143.12
    chlorobenzene 194.79
    dimethyl carbonate 71.6
    n-octane 15.73
    formamide 50.48
    cyclopentanone 803.39
    2-pentanone 353.23
    anisole 206.23
    cyclopentyl methyl ether 441.8
    gamma-butyrolactone 702.29
    1-methoxy-2-propanol 238.12
    pyridine 320.14
    3-pentanone 262.27
    furfural 486.15
    n-dodecane 9.48
    diethylene glycol 83.77
    diisopropyl ether 104.73
    tert-amyl alcohol 216.76
    acetylacetone 447.41
    n-hexadecane 11.83
    acetophenone 290.42
    methyl propionate 225.87
    isopentyl acetate 417.69
    trichloroethylene 853.65
    n-nonanol 107.63
    cyclohexanol 256.95
    benzyl alcohol 131.43
    2-ethylhexanol 117.09
    isooctanol 114.55
    dipropyl ether 231.64
    1,2-dichlorobenzene 259.88
    ethyl lactate 152.16
    propylene carbonate 419.31
    n-methylformamide 116.69
    2-pentanol 101.14
    n-pentane 16.16
    1-propoxy-2-propanol 245.25
    1-methoxy-2-propyl acetate 344.27
    2-(2-methoxypropoxy) propanol 233.37
    mesitylene 78.45
    ε-caprolactone 742.91
    p-cymene 82.4
    epichlorohydrin 726.21
    1,1,1-trichloroethane 594.97
    2-aminoethanol 25.08
    morpholine-4-carbaldehyde 533.63
    sulfolane 1111.34
    2,2,4-trimethylpentane 23.61
    2-methyltetrahydrofuran 599.28
    n-hexyl acetate 468.88
    isooctane 13.78
    2-(2-butoxyethoxy)ethanol 328.6
    sec-butyl acetate 373.09
    tert-butyl acetate 484.29
    decalin 51.9
    glycerin 38.47
    diglyme 781.86
    acrylic acid 74.28
    isopropyl myristate 139.89
    n-butyric acid 319.58
    acetyl acetate 229.9
    di(2-ethylhexyl) phthalate 107.79
    ethyl propionate 372.54
    nitromethane 312.28
    1,2-diethoxyethane 434.19
    benzonitrile 198.65
    trioctyl phosphate 86.74
    1-bromopropane 300.39
    gamma-valerolactone 1002.78
    n-decanol 65.86
    triethyl phosphate 178.9
    4-methyl-2-pentanol 92.85
    propionitrile 120.46
    vinylene carbonate 298.08
    1,1,2-trichlorotrifluoroethane 470.13
    DMS 214.89
    cumene 75.46
    2-octanol 98.73
    2-hexanone 379.43
    octyl acetate 173.34
    limonene 157.41
    1,2-dimethoxyethane 621.08
    ethyl orthosilicate 183.27
    tributyl phosphate 124.31
    diacetone alcohol 399.73
    N,N-dimethylaniline 153.7
    acrylonitrile 121.56
    aniline 108.09
    1,3-propanediol 66.63
    bromobenzene 231.77
    dibromomethane 468.62
    1,1,2,2-tetrachloroethane 894.01
    2-methyl-cyclohexyl acetate 307.92
    tetrabutyl urea 185.6
    diisobutyl methanol 91.95
    2-phenylethanol 120.44
    styrene 106.97
    dioctyl adipate 237.25
    dimethyl sulfate 181.14
    ethyl butyrate 391.18
    methyl lactate 97.34
    butyl lactate 303.94
    diethyl carbonate 199.47
    propanediol butyl ether 208.2
    triethyl orthoformate 290.18
    p-tert-butyltoluene 76.17
    methyl 4-tert-butylbenzoate 302.53
    morpholine 475.29
    tert-butylamine 125.01
    n-dodecanol 45.49
    dimethoxymethane 221.49
    ethylene carbonate 299.11
    cyrene 241.02
    2-ethoxyethyl acetate 514.12
    2-ethylhexyl acetate 347.43
    1,2,4-trichlorobenzene 309.38
    4-methylpyridine 343.48
    dibutyl ether 297.14
    2,6-dimethyl-4-heptanol 91.95
    DEF 465.5
    dimethyl isosorbide 491.89
    tetrachloroethylene 551.8
    eugenol 232.94
    triacetin 442.04
    span 80 222.42
    1,4-butanediol 31.6
    1,1-dichloroethane 432.51
    2-methyl-1-pentanol 132.54
    methyl formate 83.65
    2-methyl-1-butanol 130.24
    n-decane 23.19
    butyronitrile 167.95
    3,7-dimethyl-1-octanol 124.52
    1-chlorooctane 128.57
    1-chlorotetradecane 35.74
    n-nonane 23.19
    undecane 13.49
    tert-butylcyclohexane 37.4
    cyclooctane 27.93
    cyclopentanol 229.64
    tetrahydropyran 544.59
    tert-amyl methyl ether 265.6
    2,5,8-trioxanonane 435.33
    1-hexene 86.09
    2-isopropoxyethanol 200.94
    2,2,2-trifluoroethanol 59.94
    methyl butyrate 570.61

    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