Oxacyclohexadecan-3-one
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Identifiers
Molecular formula
C15H28O2SMILES
C1CCCCCCC(=O)COCCCCCC1
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Odor profile
Fragrance Musk 85.61% Animal 66.29% Powdery 54.87% Sweet 54.44% Amber 54.42% Woody 50.63% Dry 42.91% Floral 40.77% Clean 37.29% Natural 35.55% Flavor Fruity 42.37% Animal 32.17% Minty 26.11% Shrimp 22.65% Natural 21.32% Musk 21.21% Alkaline 21.18% Camphor 20.66% Beet 20.62% Soil 20.29% Odor impact est.
High -
Properties
XLogP3-AA
5.0pKa est.
12.12 (strong base)Molecular weight
240.38 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Ultra slowBoiling point est.
327°CFlash point
- 155.18 ˚C est.
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Synonyms
- SCHEMBL7560520
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Applications
Oxacyclohexadecan-3-one is primarily regarded as an intermediate in organic synthesis and serves as a building block for macrocyclic compounds and specialty polymers. It may also be used as a precursor in pharmaceutical and fine-chemical research. In industry, it can function as a precursor component for plastics and specialty polymers and may be explored as a constituent for coating, ink, and adhesive formulations to help form polymer networks. Additionally, it may be evaluated as a solvent or co-solvent in certain formulations and processing steps, subject to local regulations and formulation limits.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 800.59 methanol 682.5 isopropanol 898.46 water 0.09 ethyl acetate 2137.48 n-propanol 848.33 acetone 2188.43 n-butanol 857.74 acetonitrile 1332.83 DMF 1702.6 toluene 1050.69 isobutanol 729.53 1,4-dioxane 2062.7 methyl acetate 1214.49 THF 3239.27 2-butanone 1563.3 n-pentanol 509.06 sec-butanol 745.0 n-hexane 387.18 ethylene glycol 93.55 NMP 1686.53 cyclohexane 1127.03 DMSO 2145.12 n-butyl acetate 1694.58 n-octanol 378.61 chloroform 5355.14 n-propyl acetate 1452.68 acetic acid 1208.17 dichloromethane 4608.42 cyclohexanone 3199.79 propylene glycol 206.85 isopropyl acetate 1508.12 DMAc 1208.34 2-ethoxyethanol 742.97 isopentanol 847.22 n-heptane 344.32 ethyl formate 1020.39 1,2-dichloroethane 3005.79 n-hexanol 620.14 2-methoxyethanol 1155.46 isobutyl acetate 877.32 tetrachloromethane 1020.38 n-pentyl acetate 1297.93 transcutol 3487.33 n-heptanol 367.07 ethylbenzene 534.46 MIBK 1080.98 2-propoxyethanol 910.13 tert-butanol 1126.53 MTBE 1207.43 2-butoxyethanol 768.29 propionic acid 975.04 o-xylene 625.34 formic acid 225.35 diethyl ether 1614.45 m-xylene 654.88 p-xylene 686.19 chlorobenzene 1630.94 dimethyl carbonate 449.98 n-octane 112.03 formamide 441.06 cyclopentanone 3101.24 2-pentanone 1708.88 anisole 856.76 cyclopentyl methyl ether 1830.19 gamma-butyrolactone 3155.33 1-methoxy-2-propanol 1046.46 pyridine 2599.93 3-pentanone 1287.39 furfural 2409.97 n-dodecane 60.01 diethylene glycol 497.87 diisopropyl ether 618.64 tert-amyl alcohol 863.99 acetylacetone 1873.68 n-hexadecane 73.64 acetophenone 879.51 methyl propionate 1201.72 isopentyl acetate 1292.98 trichloroethylene 4910.24 n-nonanol 349.13 cyclohexanol 1418.63 benzyl alcohol 624.05 2-ethylhexanol 545.81 isooctanol 368.23 dipropyl ether 1250.9 1,2-dichlorobenzene 1516.52 ethyl lactate 457.05 propylene carbonate 1805.14 n-methylformamide 848.8 2-pentanol 743.73 n-pentane 319.19 1-propoxy-2-propanol 937.92 1-methoxy-2-propyl acetate 1111.85 2-(2-methoxypropoxy) propanol 609.82 mesitylene 467.17 ε-caprolactone 2315.01 p-cymene 393.75 epichlorohydrin 2908.33 1,1,1-trichloroethane 3021.22 2-aminoethanol 278.46 morpholine-4-carbaldehyde 1604.81 sulfolane 3214.21 2,2,4-trimethylpentane 132.15 2-methyltetrahydrofuran 2276.56 n-hexyl acetate 1279.41 isooctane 111.88 2-(2-butoxyethoxy)ethanol 937.93 sec-butyl acetate 998.49 tert-butyl acetate 1370.63 decalin 289.41 glycerin 299.03 diglyme 2005.48 acrylic acid 763.79 isopropyl myristate 457.86 n-butyric acid 1940.51 acetyl acetate 1345.05 di(2-ethylhexyl) phthalate 312.43 ethyl propionate 1203.26 nitromethane 2162.76 1,2-diethoxyethane 1604.17 benzonitrile 1139.54 trioctyl phosphate 253.42 1-bromopropane 1840.72 gamma-valerolactone 3145.18 n-decanol 236.62 triethyl phosphate 487.27 4-methyl-2-pentanol 470.09 propionitrile 1247.15 vinylene carbonate 1490.83 1,1,2-trichlorotrifluoroethane 1952.63 DMS 811.39 cumene 347.81 2-octanol 309.24 2-hexanone 1122.1 octyl acetate 526.03 limonene 685.08 1,2-dimethoxyethane 1645.52 ethyl orthosilicate 468.11 tributyl phosphate 370.47 diacetone alcohol 1022.19 N,N-dimethylaniline 501.97 acrylonitrile 1398.33 aniline 1087.5 1,3-propanediol 608.16 bromobenzene 1929.38 dibromomethane 3255.92 1,1,2,2-tetrachloroethane 4216.67 2-methyl-cyclohexyl acetate 771.17 tetrabutyl urea 441.47 diisobutyl methanol 423.47 2-phenylethanol 544.45 styrene 747.81 dioctyl adipate 657.94 dimethyl sulfate 720.65 ethyl butyrate 1294.23 methyl lactate 492.53 butyl lactate 728.38 diethyl carbonate 746.68 propanediol butyl ether 614.03 triethyl orthoformate 847.01 p-tert-butyltoluene 361.55 methyl 4-tert-butylbenzoate 761.64 morpholine 2303.96 tert-butylamine 810.74 n-dodecanol 181.22 dimethoxymethane 1079.69 ethylene carbonate 1468.51 cyrene 498.37 2-ethoxyethyl acetate 1203.73 2-ethylhexyl acetate 1050.53 1,2,4-trichlorobenzene 1549.73 4-methylpyridine 2048.04 dibutyl ether 1100.17 2,6-dimethyl-4-heptanol 423.47 DEF 1689.88 dimethyl isosorbide 1085.79 tetrachloroethylene 3072.39 eugenol 561.09 triacetin 1120.96 span 80 659.34 1,4-butanediol 209.92 1,1-dichloroethane 2857.85 2-methyl-1-pentanol 515.95 methyl formate 639.43 2-methyl-1-butanol 733.48 n-decane 127.88 butyronitrile 1397.39 3,7-dimethyl-1-octanol 456.43 1-chlorooctane 498.99 1-chlorotetradecane 169.46 n-nonane 140.4 undecane 81.26 tert-butylcyclohexane 211.09 cyclooctane 310.81 cyclopentanol 1252.7 tetrahydropyran 2922.59 tert-amyl methyl ether 914.3 2,5,8-trioxanonane 1115.72 1-hexene 814.68 2-isopropoxyethanol 627.73 2,2,2-trifluoroethanol 459.95 methyl butyrate 1670.44 Scent© AI
| Maximum acceptable concentrations in the finished product (%) | |||
|---|---|---|---|
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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
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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
|
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
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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 |
|
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 |