Glyceryl 1-(3-oxohexadecanoate)
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Identifiers
Molecular formula
C19H36O5SMILES
CCCCCCCCCCCCCC(=O)CC(=O)OCC(CO)O
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Odor profile
Fragrance Fatty 63.21% Waxy 49.18% Oily 37.3% Odorless 36.85% Buttery 32.78% Milky 29.35% Creamy 28.76% Lactonic 28.0% Peach 27.57% Dairy 26.34% Flavor Waxy 45.96% Fatty 42.47% Oily 37.76% Mild 36.04% Odorless 34.1% Bland 32.16% Soapy 27.15% Creamy 27.09% Fruity 25.54% Faint 23.74% Odor impact est.
Low -
Properties
XLogP3-AA
4.9pKa est.
7.08 (neutral)Molecular weight
344.5 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Ultra slowBoiling point est.
506°CFlash point
- 205.76 ˚C est.
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Synonyms
- glyceryl 1-(3-oxohexadecanoate)
- 3Z73EHQ311
- FEMA NO. 3769, 1-
- NS00124209
- 2,3-DIHYDROXYPROPYL 3-OXOHEXADECANOATE
- (+/-)-GLYCERYL 1-(3-OXOHEXADECANOATE)
- Q27258247
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Applications
Glyceryl 1-(3-oxohexadecanoate) is an ester of glycerol with 3-oxohexadecanoic acid; practical applications include use as an emollient and softening agent in cosmetics and personal care, functioning as a surfactant or emulsifier in cleaning and household formulations, serving as an intermediate or building block for the synthesis of specialty esters used in polymers and coatings, acting as a plasticizer or processing aid in plastics and polymer systems, and potentially being evaluated as a lipophilic pharmaceutical excipient depending on local regulations.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 21.6 methanol 50.22 isopropanol 20.42 water 0.1 ethyl acetate 31.86 n-propanol 21.91 acetone 74.16 n-butanol 19.94 acetonitrile 17.96 DMF 194.39 toluene 12.62 isobutanol 20.96 1,4-dioxane 58.38 methyl acetate 33.98 THF 230.71 2-butanone 55.62 n-pentanol 22.86 sec-butanol 21.55 n-hexane 1.24 ethylene glycol 6.29 NMP 325.04 cyclohexane 4.69 DMSO 606.43 n-butyl acetate 37.61 n-octanol 18.46 chloroform 92.71 n-propyl acetate 55.2 acetic acid 75.57 dichloromethane 100.87 cyclohexanone 187.49 propylene glycol 18.46 isopropyl acetate 37.78 DMAc 340.92 2-ethoxyethanol 82.03 isopentanol 29.37 n-heptane 1.27 ethyl formate 30.1 1,2-dichloroethane 89.12 n-hexanol 15.43 2-methoxyethanol 95.27 isobutyl acetate 37.92 tetrachloromethane 16.05 n-pentyl acetate 54.76 transcutol 354.1 n-heptanol 17.41 ethylbenzene 12.58 MIBK 54.41 2-propoxyethanol 63.33 tert-butanol 52.83 MTBE 31.68 2-butoxyethanol 69.17 propionic acid 43.98 o-xylene 17.5 formic acid 30.58 diethyl ether 12.83 m-xylene 13.66 p-xylene 19.0 chlorobenzene 25.87 dimethyl carbonate 23.44 n-octane 1.03 formamide 54.98 cyclopentanone 230.93 2-pentanone 52.74 anisole 35.86 cyclopentyl methyl ether 71.23 gamma-butyrolactone 209.38 1-methoxy-2-propanol 92.63 pyridine 56.59 3-pentanone 41.23 furfural 157.23 n-dodecane 0.97 diethylene glycol 48.0 diisopropyl ether 8.47 tert-amyl alcohol 44.33 acetylacetone 108.59 n-hexadecane 1.13 acetophenone 65.32 methyl propionate 38.55 isopentyl acetate 45.94 trichloroethylene 152.46 n-nonanol 18.92 cyclohexanol 45.95 benzyl alcohol 38.39 2-ethylhexanol 15.62 isooctanol 19.15 dipropyl ether 17.06 1,2-dichlorobenzene 37.36 ethyl lactate 43.08 propylene carbonate 105.0 n-methylformamide 57.26 2-pentanol 14.92 n-pentane 0.71 1-propoxy-2-propanol 56.12 1-methoxy-2-propyl acetate 62.29 2-(2-methoxypropoxy) propanol 82.06 mesitylene 11.88 ε-caprolactone 150.63 p-cymene 10.91 epichlorohydrin 173.74 1,1,1-trichloroethane 73.37 2-aminoethanol 20.06 morpholine-4-carbaldehyde 191.21 sulfolane 506.03 2,2,4-trimethylpentane 1.93 2-methyltetrahydrofuran 92.76 n-hexyl acetate 59.83 isooctane 1.15 2-(2-butoxyethoxy)ethanol 105.56 sec-butyl acetate 38.69 tert-butyl acetate 69.34 decalin 4.27 glycerin 43.0 diglyme 231.8 acrylic acid 40.25 isopropyl myristate 20.21 n-butyric acid 71.47 acetyl acetate 35.97 di(2-ethylhexyl) phthalate 27.88 ethyl propionate 40.86 nitromethane 142.2 1,2-diethoxyethane 56.18 benzonitrile 37.26 trioctyl phosphate 19.7 1-bromopropane 24.9 gamma-valerolactone 295.35 n-decanol 12.29 triethyl phosphate 32.51 4-methyl-2-pentanol 15.6 propionitrile 17.54 vinylene carbonate 76.35 1,1,2-trichlorotrifluoroethane 200.14 DMS 44.76 cumene 12.05 2-octanol 13.5 2-hexanone 56.4 octyl acetate 26.52 limonene 17.59 1,2-dimethoxyethane 142.29 ethyl orthosilicate 31.25 tributyl phosphate 27.12 diacetone alcohol 117.91 N,N-dimethylaniline 33.2 acrylonitrile 26.1 aniline 23.85 1,3-propanediol 33.59 bromobenzene 25.41 dibromomethane 55.72 1,1,2,2-tetrachloroethane 166.3 2-methyl-cyclohexyl acetate 48.87 tetrabutyl urea 43.41 diisobutyl methanol 12.82 2-phenylethanol 29.92 styrene 14.31 dioctyl adipate 47.85 dimethyl sulfate 85.4 ethyl butyrate 38.6 methyl lactate 47.85 butyl lactate 63.94 diethyl carbonate 26.14 propanediol butyl ether 74.08 triethyl orthoformate 37.21 p-tert-butyltoluene 11.07 methyl 4-tert-butylbenzoate 76.99 morpholine 98.34 tert-butylamine 21.23 n-dodecanol 8.56 dimethoxymethane 67.28 ethylene carbonate 63.74 cyrene 104.88 2-ethoxyethyl acetate 79.19 2-ethylhexyl acetate 34.54 1,2,4-trichlorobenzene 52.44 4-methylpyridine 53.19 dibutyl ether 24.66 2,6-dimethyl-4-heptanol 12.82 DEF 90.54 dimethyl isosorbide 158.9 tetrachloroethylene 96.21 eugenol 72.49 triacetin 99.38 span 80 68.02 1,4-butanediol 17.17 1,1-dichloroethane 51.08 2-methyl-1-pentanol 29.45 methyl formate 39.91 2-methyl-1-butanol 25.86 n-decane 1.89 butyronitrile 20.29 3,7-dimethyl-1-octanol 21.43 1-chlorooctane 12.57 1-chlorotetradecane 4.14 n-nonane 1.59 undecane 1.28 tert-butylcyclohexane 3.19 cyclooctane 1.5 cyclopentanol 56.28 tetrahydropyran 65.52 tert-amyl methyl ether 32.32 2,5,8-trioxanonane 148.51 1-hexene 6.0 2-isopropoxyethanol 59.53 2,2,2-trifluoroethanol 38.52 methyl butyrate 72.86 Scent© AI
| 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 |