Octadecanoic acid, 12-hydroxy-, monoester with 1,2-propanediol

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  • Identifiers

    CAS number
    33907-47-0

    Molecular formula
    C21H42O4

    SMILES
    CC(COC(=O)CCCCCCCCCCCCCCCCCO)O

    Safety labels

  • Odor profile

    Fragrance
    Waxy 53.47%
    Fatty 48.45%
    Odorless 39.91%
    Oily 39.87%
    Sweet 23.81%
    Alcoholic 23.09%
    Creamy 22.87%
    Buttery 21.34%
    Clean 20.77%
    Fresh 20.45%

     

    Flavor
    Waxy 68.26%
    Oily 47.04%
    Fatty 46.92%
    Soapy 42.75%
    Mild 40.3%
    Fruity 38.78%
    Floral 37.9%
    Sweet 34.99%
    Creamy 34.66%
    Clean 33.28%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.7

    pKa est.
    7.66 (neutral)

    Molecular weight
    358.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    483°C

    Flash point

    • 208.94 ˚C est.

  • Synonyms

    • EINECS 251-734-5
    • RefChem:855589
    • Octadecanoic acid, 12-hydroxy-, monoester with 1,2-propanediol
    • 33907-47-0
    • Hydroxyoctadecanoic acid, monoester with propane-1,2-diol
    • SCHEMBL141132
    • 33907-47-0

  • Applications

    Octadecanoic acid, 12-hydroxy-, monoester with 1,2-propanediol (CAS 33907-47-0) is a hydroxy fatty acid ester used as a functional ingredient across several industries. Real-world applications include: as an emollient and conditioning agent in cosmetics and personal care; as a plasticizer or processing lubricant in polymers and coatings to improve flexibility and processability; as a wax-like additive and rheology modifier in coatings and inks to improve film formation and slip; as a softening agent or processing aid in adhesives and sealants; as a surfactant or emulsifier component in cleaning formulations; and as a lubricity additive in industrial lubricants and metalworking fluids. Use depends on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.69
    methanol 8.73
    isopropanol 3.7
    water 0.05
    ethyl acetate 23.6
    n-propanol 5.21
    acetone 19.23
    n-butanol 6.09
    acetonitrile 7.0
    DMF 54.39
    toluene 9.87
    isobutanol 5.82
    1,4-dioxane 38.9
    methyl acetate 19.69
    THF 147.97
    2-butanone 26.94
    n-pentanol 8.24
    sec-butanol 7.4
    n-hexane 2.39
    ethylene glycol 1.19
    NMP 171.73
    cyclohexane 12.75
    DMSO 140.32
    n-butyl acetate 38.32
    n-octanol 18.35
    chloroform 108.69
    n-propyl acetate 49.24
    acetic acid 21.03
    dichloromethane 112.94
    cyclohexanone 126.04
    propylene glycol 3.23
    isopropyl acetate 31.79
    DMAc 142.18
    2-ethoxyethanol 30.85
    isopentanol 11.04
    n-heptane 3.33
    ethyl formate 17.2
    1,2-dichloroethane 67.08
    n-hexanol 8.11
    2-methoxyethanol 27.45
    isobutyl acetate 33.43
    tetrachloromethane 24.52
    n-pentyl acetate 83.27
    transcutol 224.85
    n-heptanol 14.88
    ethylbenzene 11.86
    MIBK 37.12
    2-propoxyethanol 29.27
    tert-butanol 14.28
    MTBE 23.38
    2-butoxyethanol 54.26
    propionic acid 16.24
    o-xylene 14.6
    formic acid 7.47
    diethyl ether 11.03
    m-xylene 10.25
    p-xylene 18.07
    chlorobenzene 23.18
    dimethyl carbonate 12.51
    n-octane 2.36
    formamide 13.39
    cyclopentanone 125.72
    2-pentanone 27.88
    anisole 28.3
    cyclopentyl methyl ether 58.16
    gamma-butyrolactone 125.19
    1-methoxy-2-propanol 30.96
    pyridine 40.53
    3-pentanone 27.22
    furfural 102.27
    n-dodecane 1.59
    diethylene glycol 15.6
    diisopropyl ether 8.71
    tert-amyl alcohol 20.11
    acetylacetone 56.0
    n-hexadecane 1.9
    acetophenone 50.03
    methyl propionate 23.02
    isopentyl acetate 44.54
    trichloroethylene 130.02
    n-nonanol 19.43
    cyclohexanol 25.41
    benzyl alcohol 19.37
    2-ethylhexanol 12.72
    isooctanol 17.8
    dipropyl ether 24.1
    1,2-dichlorobenzene 38.04
    ethyl lactate 27.95
    propylene carbonate 76.43
    n-methylformamide 17.05
    2-pentanol 6.34
    n-pentane 1.28
    1-propoxy-2-propanol 36.74
    1-methoxy-2-propyl acetate 49.65
    2-(2-methoxypropoxy) propanol 59.73
    mesitylene 10.46
    ε-caprolactone 114.26
    p-cymene 12.54
    epichlorohydrin 117.34
    1,1,1-trichloroethane 74.32
    2-aminoethanol 3.98
    morpholine-4-carbaldehyde 108.33
    sulfolane 304.86
    2,2,4-trimethylpentane 3.06
    2-methyltetrahydrofuran 76.36
    n-hexyl acetate 75.48
    isooctane 1.54
    2-(2-butoxyethoxy)ethanol 77.7
    sec-butyl acetate 39.57
    tert-butyl acetate 61.03
    decalin 7.04
    glycerin 9.56
    diglyme 188.33
    acrylic acid 13.91
    isopropyl myristate 23.53
    n-butyric acid 33.06
    acetyl acetate 25.45
    di(2-ethylhexyl) phthalate 23.99
    ethyl propionate 38.96
    nitromethane 49.1
    1,2-diethoxyethane 61.86
    benzonitrile 24.57
    trioctyl phosphate 17.71
    1-bromopropane 28.24
    gamma-valerolactone 180.18
    n-decanol 11.88
    triethyl phosphate 37.8
    4-methyl-2-pentanol 8.52
    propionitrile 9.12
    vinylene carbonate 56.29
    1,1,2-trichlorotrifluoroethane 111.6
    DMS 36.17
    cumene 11.48
    2-octanol 14.72
    2-hexanone 40.78
    octyl acetate 29.86
    limonene 21.37
    1,2-dimethoxyethane 94.64
    ethyl orthosilicate 39.04
    tributyl phosphate 24.82
    diacetone alcohol 64.49
    N,N-dimethylaniline 27.59
    acrylonitrile 11.55
    aniline 12.52
    1,3-propanediol 7.63
    bromobenzene 27.29
    dibromomethane 64.19
    1,1,2,2-tetrachloroethane 145.23
    2-methyl-cyclohexyl acetate 52.65
    tetrabutyl urea 40.86
    diisobutyl methanol 12.77
    2-phenylethanol 18.46
    styrene 12.55
    dioctyl adipate 48.96
    dimethyl sulfate 45.74
    ethyl butyrate 47.57
    methyl lactate 19.18
    butyl lactate 59.25
    diethyl carbonate 28.81
    propanediol butyl ether 47.72
    triethyl orthoformate 50.27
    p-tert-butyltoluene 12.16
    methyl 4-tert-butylbenzoate 74.3
    morpholine 56.54
    tert-butylamine 9.48
    n-dodecanol 8.16
    dimethoxymethane 29.63
    ethylene carbonate 50.12
    cyrene 70.2
    2-ethoxyethyl acetate 87.55
    2-ethylhexyl acetate 38.71
    1,2,4-trichlorobenzene 48.65
    4-methylpyridine 36.4
    dibutyl ether 38.5
    2,6-dimethyl-4-heptanol 12.77
    DEF 58.03
    dimethyl isosorbide 133.31
    tetrachloroethylene 90.07
    eugenol 60.37
    triacetin 99.69
    span 80 52.35
    1,4-butanediol 4.59
    1,1-dichloroethane 43.19
    2-methyl-1-pentanol 13.48
    methyl formate 13.95
    2-methyl-1-butanol 10.16
    n-decane 3.71
    butyronitrile 11.36
    3,7-dimethyl-1-octanol 20.07
    1-chlorooctane 19.13
    1-chlorotetradecane 5.48
    n-nonane 3.44
    undecane 2.22
    tert-butylcyclohexane 4.9
    cyclooctane 3.32
    cyclopentanol 25.72
    tetrahydropyran 53.68
    tert-amyl methyl ether 28.62
    2,5,8-trioxanonane 110.07
    1-hexene 6.51
    2-isopropoxyethanol 27.21
    2,2,2-trifluoroethanol 15.69
    methyl butyrate 65.28

    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