Mono-n-butyl maleate
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Identifiers
Molecular formula
C8H11O4-SMILES
CCCCOC(=O)/C=C\C(=O)[O-]
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Odor profile
Fragrance Fruity 78.49% Caramellic 62.85% Winey 60.67% Sweet 58.36% Herbal 40.91% Green 33.71% Apple 33.25% Sour 33.16% Buttery 31.87% Fatty 29.98% Flavor Fruity 44.3% Caramel 28.08% Odorless 26.96% Sour 23.29% Very mild 23.27% Buttery 22.06% Broccoli 20.57% Toffee 20.04% Extremely sweet 19.91% Roquefort cheese 19.91% Odor impact est.
Medium -
Properties
XLogP3-AA
2.2pKa est.
3.9 (weak acid)Molecular weight
171.17 g/molFlash point
- 107.14 ˚C est.
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Synonyms
- Mono-n-butyl maleate
- UTOVMEACOLCUCK-PLNGDYQASA-M
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Applications
Mono-n-butyl maleate is a monoester of maleic acid with n-butanol, bearing a free carboxyl group and the n-butyl ester moiety. In industry, it is commonly used as a reactive monomer and intermediate in polymer and coating formulations: it copolymerizes with vinyl or acrylic monomers to tailor elasticity and glass transition temperature; it can act as a plasticizer for certain vinyl and acrylic resins; it serves as a precursor for the synthesis of polyesters, polyurethanes and other specialty polymers via esterification and polymerization; it is used in adhesives and coatings as a reactive diluent or functional monomer, enabling post polymerization modification; it may be considered as a precursor to functional or crosslinkable polymers.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 423.05 methanol 759.3 isopropanol 174.96 water 0.67 ethyl acetate 296.97 n-propanol 195.36 acetone 492.09 n-butanol 149.78 acetonitrile 326.39 DMF 1711.96 toluene 57.98 isobutanol 110.76 1,4-dioxane 220.78 methyl acetate 391.69 THF 420.44 2-butanone 388.65 n-pentanol 123.52 sec-butanol 157.0 n-hexane 3.2 ethylene glycol 71.83 NMP 982.24 cyclohexane 2.86 DMSO 1648.35 n-butyl acetate 168.41 n-octanol 26.65 chloroform 137.82 n-propyl acetate 170.9 acetic acid 358.11 dichloromethane 268.43 cyclohexanone 257.68 propylene glycol 73.59 isopropyl acetate 146.98 DMAc 1405.58 2-ethoxyethanol 387.44 isopentanol 143.14 n-heptane 1.42 ethyl formate 168.83 1,2-dichloroethane 263.93 n-hexanol 71.52 2-methoxyethanol 664.86 isobutyl acetate 81.18 tetrachloromethane 12.21 n-pentyl acetate 58.63 transcutol 863.95 n-heptanol 23.9 ethylbenzene 47.18 MIBK 120.55 2-propoxyethanol 235.35 tert-butanol 233.75 MTBE 164.28 2-butoxyethanol 92.24 propionic acid 180.46 o-xylene 53.99 formic acid 230.5 diethyl ether 137.78 m-xylene 46.49 p-xylene 59.26 chlorobenzene 85.22 dimethyl carbonate 121.99 n-octane 0.88 formamide 578.56 cyclopentanone 424.73 2-pentanone 230.26 anisole 175.42 cyclopentyl methyl ether 159.86 gamma-butyrolactone 552.48 1-methoxy-2-propanol 381.69 pyridine 290.31 3-pentanone 156.55 furfural 487.85 n-dodecane 1.11 diethylene glycol 221.82 diisopropyl ether 28.21 tert-amyl alcohol 227.08 acetylacetone 318.0 n-hexadecane 1.28 acetophenone 194.2 methyl propionate 273.76 isopentyl acetate 147.59 trichloroethylene 401.68 n-nonanol 25.17 cyclohexanol 74.49 benzyl alcohol 159.83 2-ethylhexanol 41.21 isooctanol 21.97 dipropyl ether 35.08 1,2-dichlorobenzene 89.87 ethyl lactate 82.36 propylene carbonate 219.89 n-methylformamide 610.18 2-pentanol 87.77 n-pentane 2.53 1-propoxy-2-propanol 138.6 1-methoxy-2-propyl acetate 187.51 2-(2-methoxypropoxy) propanol 166.29 mesitylene 24.15 ε-caprolactone 271.65 p-cymene 22.27 epichlorohydrin 628.18 1,1,1-trichloroethane 106.46 2-aminoethanol 165.38 morpholine-4-carbaldehyde 632.71 sulfolane 752.28 2,2,4-trimethylpentane 3.44 2-methyltetrahydrofuran 311.5 n-hexyl acetate 87.51 isooctane 2.0 2-(2-butoxyethoxy)ethanol 205.87 sec-butyl acetate 113.84 tert-butyl acetate 174.27 decalin 5.2 glycerin 120.75 diglyme 393.18 acrylic acid 175.68 isopropyl myristate 30.73 n-butyric acid 203.77 acetyl acetate 153.31 di(2-ethylhexyl) phthalate 46.0 ethyl propionate 143.94 nitromethane 1001.29 1,2-diethoxyethane 159.93 benzonitrile 149.18 trioctyl phosphate 24.91 1-bromopropane 96.71 gamma-valerolactone 561.18 n-decanol 19.01 triethyl phosphate 55.86 4-methyl-2-pentanol 49.65 propionitrile 179.44 vinylene carbonate 184.67 1,1,2-trichlorotrifluoroethane 330.75 DMS 132.66 cumene 31.86 2-octanol 17.32 2-hexanone 163.58 octyl acetate 41.82 limonene 29.67 1,2-dimethoxyethane 487.7 ethyl orthosilicate 48.56 tributyl phosphate 42.74 diacetone alcohol 267.23 N,N-dimethylaniline 130.95 acrylonitrile 301.22 aniline 123.8 1,3-propanediol 217.49 bromobenzene 78.26 dibromomethane 142.1 1,1,2,2-tetrachloroethane 291.51 2-methyl-cyclohexyl acetate 86.59 tetrabutyl urea 62.56 diisobutyl methanol 24.32 2-phenylethanol 106.18 styrene 69.64 dioctyl adipate 69.45 dimethyl sulfate 288.99 ethyl butyrate 98.71 methyl lactate 142.21 butyl lactate 64.94 diethyl carbonate 72.33 propanediol butyl ether 107.29 triethyl orthoformate 59.5 p-tert-butyltoluene 20.55 methyl 4-tert-butylbenzoate 110.96 morpholine 365.73 tert-butylamine 95.1 n-dodecanol 14.28 dimethoxymethane 398.54 ethylene carbonate 133.16 cyrene 172.46 2-ethoxyethyl acetate 137.01 2-ethylhexyl acetate 100.88 1,2,4-trichlorobenzene 136.73 4-methylpyridine 361.68 dibutyl ether 36.24 2,6-dimethyl-4-heptanol 24.32 DEF 405.21 dimethyl isosorbide 275.75 tetrachloroethylene 143.86 eugenol 118.75 triacetin 128.34 span 80 97.13 1,4-butanediol 89.02 1,1-dichloroethane 149.44 2-methyl-1-pentanol 136.75 methyl formate 334.95 2-methyl-1-butanol 137.46 n-decane 1.61 butyronitrile 148.42 3,7-dimethyl-1-octanol 39.67 1-chlorooctane 12.32 1-chlorotetradecane 5.84 n-nonane 1.36 undecane 1.31 tert-butylcyclohexane 4.99 cyclooctane 1.26 cyclopentanol 101.4 tetrahydropyran 145.79 tert-amyl methyl ether 156.28 2,5,8-trioxanonane 291.52 1-hexene 30.21 2-isopropoxyethanol 219.08 2,2,2-trifluoroethanol 111.98 methyl butyrate 221.21 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 |