3-acetyl-5-n-butyldihydro-2(3H)-furanone
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Identifiers
Molecular formula
C10H16O3SMILES
CCCCC1CC(C(=O)O1)C(=O)C
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Odor profile
Fragrance Floral 74.7% Jasmin 54.77% Lactonic 47.37% Herbal 44.37% Sweet 40.85% Coconut 39.45% Caramellic 36.29% Celery 35.89% Spicy 35.36% Hay 33.74% Flavor Sweet 40.59% Coconut 38.64% Fruity 36.91% Caramel 36.69% Fatty 35.46% Oily 33.8% Herbal 30.92% Creamy 30.9% Buttery 29.78% Minty 28.42% Odor impact est.
Medium -
Properties
XLogP3-AA
2.0pKa est.
8.11 (weak base)Molecular weight
184.23 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Ultra slowBoiling point est.
296°CFlash point
- 113.01 ˚C est.
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Synonyms
- DTXSID60885794
- SCHEMBL6232228
- 3-acetyl-5-butyl-dihydro-2 (3H)-furanone
- 3-acetyl-5-n-butyldihydro-2(3H)-furanone
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Applications
3-acetyl-5-n-butyldihydro-2(3H)-furanone is primarily regarded as a fragrance ingredient and odorant in perfumery, contributing fruity and creamy notes; it may be used as a flavoring intermediate or aroma additive in the food-flavor sector; in cosmetics and personal care, it can serve as a scent component; in household products such as cleaners and air fresheners, it provides a distinctive aroma; in polymer and coatings formulations, it may be employed as a fragrance additive or as part of fragrance encapsulation systems; it can also be explored as an intermediate for organic synthesis toward fragrance- or pharmaceutical-related derivatives; usage is subject to local regulations and formulation limits.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 971.42 methanol 1432.54 isopropanol 953.58 water 1.35 ethyl acetate 691.6 n-propanol 714.13 acetone 1428.45 n-butanol 681.67 acetonitrile 744.07 DMF 1666.88 toluene 277.45 isobutanol 614.24 1,4-dioxane 1132.23 methyl acetate 618.57 THF 1773.38 2-butanone 828.13 n-pentanol 436.07 sec-butanol 690.92 n-hexane 20.07 ethylene glycol 262.2 NMP 1400.09 cyclohexane 38.67 DMSO 1832.21 n-butyl acetate 383.25 n-octanol 139.75 chloroform 2457.02 n-propyl acetate 316.97 acetic acid 1283.23 dichloromethane 1752.76 cyclohexanone 1200.51 propylene glycol 428.37 isopropyl acetate 467.27 DMAc 1214.79 2-ethoxyethanol 543.35 isopentanol 658.97 n-heptane 6.24 ethyl formate 500.27 1,2-dichloroethane 1077.78 n-hexanol 367.96 2-methoxyethanol 1138.3 isobutyl acetate 238.27 tetrachloromethane 184.5 n-pentyl acetate 209.62 transcutol 1772.4 n-heptanol 121.3 ethylbenzene 154.43 MIBK 440.4 2-propoxyethanol 656.5 tert-butanol 988.81 MTBE 571.8 2-butoxyethanol 278.28 propionic acid 746.81 o-xylene 175.24 formic acid 489.44 diethyl ether 423.87 m-xylene 225.35 p-xylene 206.04 chlorobenzene 603.73 dimethyl carbonate 247.87 n-octane 3.96 formamide 551.39 cyclopentanone 1393.28 2-pentanone 677.69 anisole 390.11 cyclopentyl methyl ether 608.36 gamma-butyrolactone 1562.48 1-methoxy-2-propanol 883.47 pyridine 893.73 3-pentanone 394.74 furfural 1187.05 n-dodecane 5.57 diethylene glycol 593.83 diisopropyl ether 121.1 tert-amyl alcohol 633.34 acetylacetone 836.98 n-hexadecane 6.77 acetophenone 381.43 methyl propionate 496.38 isopentyl acetate 372.57 trichloroethylene 2196.26 n-nonanol 114.46 cyclohexanol 605.45 benzyl alcohol 395.8 2-ethylhexanol 163.45 isooctanol 105.73 dipropyl ether 111.07 1,2-dichlorobenzene 500.26 ethyl lactate 188.93 propylene carbonate 807.8 n-methylformamide 751.3 2-pentanol 412.07 n-pentane 16.29 1-propoxy-2-propanol 390.07 1-methoxy-2-propyl acetate 420.32 2-(2-methoxypropoxy) propanol 362.71 mesitylene 124.57 ε-caprolactone 925.65 p-cymene 75.93 epichlorohydrin 1605.9 1,1,1-trichloroethane 977.73 2-aminoethanol 479.57 morpholine-4-carbaldehyde 1093.01 sulfolane 1609.2 2,2,4-trimethylpentane 18.01 2-methyltetrahydrofuran 1083.98 n-hexyl acetate 350.6 isooctane 15.29 2-(2-butoxyethoxy)ethanol 489.17 sec-butyl acetate 252.67 tert-butyl acetate 462.45 decalin 29.72 glycerin 552.59 diglyme 769.16 acrylic acid 692.36 isopropyl myristate 112.98 n-butyric acid 966.98 acetyl acetate 504.4 di(2-ethylhexyl) phthalate 148.72 ethyl propionate 278.63 nitromethane 1549.08 1,2-diethoxyethane 351.93 benzonitrile 545.1 trioctyl phosphate 93.18 1-bromopropane 484.34 gamma-valerolactone 1501.19 n-decanol 82.22 triethyl phosphate 114.81 4-methyl-2-pentanol 233.59 propionitrile 526.22 vinylene carbonate 717.52 1,1,2-trichlorotrifluoroethane 1085.28 DMS 338.91 cumene 105.88 2-octanol 92.94 2-hexanone 388.88 octyl acetate 148.56 limonene 109.12 1,2-dimethoxyethane 849.98 ethyl orthosilicate 107.24 tributyl phosphate 129.67 diacetone alcohol 593.61 N,N-dimethylaniline 236.69 acrylonitrile 718.24 aniline 521.84 1,3-propanediol 705.19 bromobenzene 604.2 dibromomethane 1077.72 1,1,2,2-tetrachloroethane 1845.69 2-methyl-cyclohexyl acetate 205.09 tetrabutyl urea 163.83 diisobutyl methanol 96.4 2-phenylethanol 324.35 styrene 210.73 dioctyl adipate 185.78 dimethyl sulfate 455.38 ethyl butyrate 197.91 methyl lactate 343.93 butyl lactate 224.63 diethyl carbonate 154.37 propanediol butyl ether 390.79 triethyl orthoformate 139.81 p-tert-butyltoluene 74.44 methyl 4-tert-butylbenzoate 276.61 morpholine 1396.59 tert-butylamine 426.88 n-dodecanol 60.85 dimethoxymethane 632.6 ethylene carbonate 587.32 cyrene 354.38 2-ethoxyethyl acetate 338.83 2-ethylhexyl acetate 254.47 1,2,4-trichlorobenzene 633.72 4-methylpyridine 996.7 dibutyl ether 133.22 2,6-dimethyl-4-heptanol 96.4 DEF 650.24 dimethyl isosorbide 533.96 tetrachloroethylene 971.88 eugenol 295.11 triacetin 338.43 span 80 295.61 1,4-butanediol 272.61 1,1-dichloroethane 1228.89 2-methyl-1-pentanol 425.88 methyl formate 586.12 2-methyl-1-butanol 555.69 n-decane 8.86 butyronitrile 642.07 3,7-dimethyl-1-octanol 168.53 1-chlorooctane 76.49 1-chlorotetradecane 28.16 n-nonane 7.83 undecane 6.78 tert-butylcyclohexane 27.26 cyclooctane 9.85 cyclopentanol 736.31 tetrahydropyran 995.84 tert-amyl methyl ether 344.56 2,5,8-trioxanonane 526.7 1-hexene 135.73 2-isopropoxyethanol 385.77 2,2,2-trifluoroethanol 414.07 methyl butyrate 415.56 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
|
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 |