(3R)-3-methyl-1,4-dioxacyclopentadecan-2-one
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Identifiers
Molecular formula
C14H26O3SMILES
C[C@@H]1C(=O)OCCCCCCCCCCCO1
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Odor profile
Fragrance Sweet 81.48% Musk 79.42% Animal 59.53% Woody 52.44% Powdery 51.08% Amber 50.94% Floral 50.84% Fruity 40.12% Waxy 36.32% Tobacco 35.51% Flavor Fruity 59.79% Caramel 27.91% Animal 27.37% Fruit 27.31% Minty 26.97% Sweet 26.5% Coconut 25.5% Natural 23.85% Buttery 22.76% Musk 21.39% Odor impact est.
High -
Properties
XLogP3-AA
4.3pKa est.
11.66 (strong base)Molecular weight
242.35 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Ultra slowBoiling point est.
311°CFlash point
- 140.48 ˚C est.
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Synonyms
- SCHEMBL7110857
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Applications
The compound (3R)-3-methyl-1,4-dioxacyclopentadecan-2-one is primarily considered as a potential intermediate and functional monomer in polymer chemistry, where it may be used in ring-opening polymerization to form cyclic carbonate-containing polymers or as a crosslinking/functional unit in polyester and polyurethane networks. In addition, it can serve as a solvent or co-solvent in specialty coatings, inks, and cleaning formulations, where its macrocyclic carbonate structure provides solvating properties for a range of components. Due to its chirality and protected functionalities, it is commonly evaluated as a chiral building block or carbonate-protected intermediate in pharmaceutical and agrochemical synthesis. Potential applications in electronics and energy storage include use as a solvent, co-solvent, or additive in electrolyte formulations, subject to formulation limits. In cosmetics and personal care, cyclic carbonate derivatives are sometimes considered as solvents or processing aids, and thus this compound may be evaluated for niche formulation work. In industrial manufacturing, it may also be explored as a precursor or processing aid for specialty polymers and coatings.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 1360.91 methanol 1442.66 isopropanol 1331.97 water 0.19 ethyl acetate 3345.46 n-propanol 1267.76 acetone 3611.59 n-butanol 1269.12 acetonitrile 2567.28 DMF 2812.77 toluene 1780.7 isobutanol 1118.6 1,4-dioxane 2801.25 methyl acetate 2011.96 THF 3667.18 2-butanone 2371.53 n-pentanol 786.87 sec-butanol 1180.32 n-hexane 395.71 ethylene glycol 148.78 NMP 2628.83 cyclohexane 1185.08 DMSO 3251.4 n-butyl acetate 2329.9 n-octanol 482.11 chloroform 7463.09 n-propyl acetate 1966.08 acetic acid 2177.1 dichloromethane 7214.2 cyclohexanone 4624.5 propylene glycol 257.17 isopropyl acetate 2214.2 DMAc 1976.55 2-ethoxyethanol 1118.0 isopentanol 1313.68 n-heptane 238.77 ethyl formate 1632.54 1,2-dichloroethane 5012.43 n-hexanol 842.32 2-methoxyethanol 1763.13 isobutyl acetate 1104.63 tetrachloromethane 1447.04 n-pentyl acetate 1702.01 transcutol 4477.68 n-heptanol 461.64 ethylbenzene 809.35 MIBK 1508.84 2-propoxyethanol 1256.28 tert-butanol 1695.09 MTBE 2008.55 2-butoxyethanol 970.19 propionic acid 1469.26 o-xylene 1043.47 formic acid 464.93 diethyl ether 2346.76 m-xylene 1066.77 p-xylene 1051.14 chlorobenzene 2580.18 dimethyl carbonate 721.89 n-octane 102.53 formamide 918.45 cyclopentanone 3991.05 2-pentanone 2578.02 anisole 1212.92 cyclopentyl methyl ether 2360.19 gamma-butyrolactone 4215.88 1-methoxy-2-propanol 1396.55 pyridine 4139.89 3-pentanone 1882.18 furfural 3402.72 n-dodecane 63.71 diethylene glycol 738.24 diisopropyl ether 838.98 tert-amyl alcohol 1396.71 acetylacetone 2647.99 n-hexadecane 77.86 acetophenone 1273.08 methyl propionate 1893.25 isopentyl acetate 1752.65 trichloroethylene 8198.61 n-nonanol 423.08 cyclohexanol 2104.96 benzyl alcohol 935.16 2-ethylhexanol 679.53 isooctanol 442.75 dipropyl ether 1122.54 1,2-dichlorobenzene 2278.78 ethyl lactate 558.17 propylene carbonate 2384.18 n-methylformamide 1483.66 2-pentanol 1141.3 n-pentane 372.51 1-propoxy-2-propanol 1151.27 1-methoxy-2-propyl acetate 1518.09 2-(2-methoxypropoxy) propanol 756.75 mesitylene 699.2 ε-caprolactone 3534.31 p-cymene 499.49 epichlorohydrin 4372.28 1,1,1-trichloroethane 4513.21 2-aminoethanol 427.35 morpholine-4-carbaldehyde 2325.74 sulfolane 4295.07 2,2,4-trimethylpentane 182.29 2-methyltetrahydrofuran 3033.88 n-hexyl acetate 1673.76 isooctane 137.72 2-(2-butoxyethoxy)ethanol 1177.62 sec-butyl acetate 1328.96 tert-butyl acetate 1879.66 decalin 338.07 glycerin 387.6 diglyme 2436.73 acrylic acid 1203.04 isopropyl myristate 522.8 n-butyric acid 2936.68 acetyl acetate 2099.48 di(2-ethylhexyl) phthalate 413.4 ethyl propionate 1647.4 nitromethane 3834.94 1,2-diethoxyethane 2018.35 benzonitrile 1848.35 trioctyl phosphate 316.21 1-bromopropane 2860.47 gamma-valerolactone 4132.26 n-decanol 283.09 triethyl phosphate 545.67 4-methyl-2-pentanol 663.54 propionitrile 2043.22 vinylene carbonate 2191.11 1,1,2-trichlorotrifluoroethane 2733.9 DMS 1188.69 cumene 485.81 2-octanol 405.94 2-hexanone 1502.81 octyl acetate 632.69 limonene 831.74 1,2-dimethoxyethane 2189.97 ethyl orthosilicate 522.68 tributyl phosphate 458.57 diacetone alcohol 1355.24 N,N-dimethylaniline 714.23 acrylonitrile 2366.09 aniline 1758.04 1,3-propanediol 873.24 bromobenzene 3187.92 dibromomethane 5116.56 1,1,2,2-tetrachloroethane 6489.38 2-methyl-cyclohexyl acetate 916.08 tetrabutyl urea 539.75 diisobutyl methanol 476.92 2-phenylethanol 807.88 styrene 1154.51 dioctyl adipate 757.07 dimethyl sulfate 1155.47 ethyl butyrate 1442.09 methyl lactate 691.69 butyl lactate 939.2 diethyl carbonate 911.44 propanediol butyl ether 799.73 triethyl orthoformate 905.85 p-tert-butyltoluene 455.02 methyl 4-tert-butylbenzoate 958.82 morpholine 3255.95 tert-butylamine 1181.62 n-dodecanol 211.74 dimethoxymethane 1618.32 ethylene carbonate 2043.97 cyrene 661.86 2-ethoxyethyl acetate 1751.92 2-ethylhexyl acetate 1428.28 1,2,4-trichlorobenzene 2379.63 4-methylpyridine 3476.69 dibutyl ether 1198.96 2,6-dimethyl-4-heptanol 476.92 DEF 2707.46 dimethyl isosorbide 1334.64 tetrachloroethylene 4698.5 eugenol 770.17 triacetin 1338.81 span 80 787.68 1,4-butanediol 323.94 1,1-dichloroethane 4781.64 2-methyl-1-pentanol 773.23 methyl formate 1161.78 2-methyl-1-butanol 1174.78 n-decane 125.51 butyronitrile 2251.78 3,7-dimethyl-1-octanol 563.69 1-chlorooctane 575.68 1-chlorotetradecane 190.99 n-nonane 132.01 undecane 84.16 tert-butylcyclohexane 240.56 cyclooctane 320.32 cyclopentanol 1728.77 tetrahydropyran 3770.58 tert-amyl methyl ether 1416.02 2,5,8-trioxanonane 1332.75 1-hexene 1016.3 2-isopropoxyethanol 860.38 2,2,2-trifluoroethanol 772.59 methyl butyrate 2282.89 Scent© AI
| Maximum acceptable concentrations in the finished product (%) | |||
|---|---|---|---|
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Category 1
Products applied to the lips
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No restriction |
Category 7A
Rinse-off products applied to the hair with some hand contact
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No restriction |
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Category 2
Products applied to the axillae
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No restriction |
Category 7B
Leave-on products applied to the hair with some hand contact
|
No restriction |
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Category 3
Products applied to the face/body using fingertips
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No restriction |
Category 8
Products with significant anogenital exposure
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No restriction |
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Category 4
Products related to fine fragrance
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No restriction |
Category 9
Products with body and hand exposure, primarily rinse off
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No restriction |
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Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
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No restriction |
Category 10A
Household care products with mostly hand contact
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No restriction |
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Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
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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
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No restriction |
Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
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No restriction |
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Category 5D
Baby Creams, baby Oils and baby talc
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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 |
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Category 6
Products with oral and lip exposure
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No restriction |
Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
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No restriction |