Benzene, 1,4-bis(1-methoxycarbonylethyl)-
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Identifiers
Molecular formula
C14H18O4SMILES
CC(C1=CC=C(C=C1)C(C)C(=O)OC)C(=O)OC
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Odor profile
Fragrance Fruity 92.73% Floral 71.58% Sweet 69.75% Tropical 48.58% Honey 47.11% Berry 45.67% Green 41.75% Strawberry 36.13% Powdery 35.77% Grape 34.27% Flavor Fruity 74.21% Floral 47.33% Tropical 35.28% Bitter 30.0% Sweet 29.44% Berry 28.6% Green 27.58% Grape 26.83% Wine 26.09% Rose 24.68% Odor impact est.
Medium -
Properties
XLogP3-AA
2.6pKa est.
6.23 (neutral)Molecular weight
250.29 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Ultra slowBoiling point est.
298°CFlash point
- 149.89 ˚C est.
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Synonyms
- Benzene, 1,4-bis(1-methoxycarbonylethyl)-
- YXRNEROYPJUALU-UHFFFAOYSA-N
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Applications
Benzene, 1,4-bis(1-methoxycarbonylethyl)- is a difunctional aromatic diester that serves as a building block in polymer synthesis and specialty resins. In polymers and plastics, it is used as a difunctional monomer for polyesters and high-performance resins. In coatings and inks, it can function as a resin component or crosslinkable precursor in epoxy- or acrylic-based systems. In adhesives, it may act as a reactive intermediate enabling crosslinking and improved cohesion. In electronics-related polymer materials, it may be evaluated for use in packaging, insulation, and encapsulation applications. In industrial manufacturing, it can serve as a precursor to other aromatic ester derivatives used in fine chemicals.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 14.58 methanol 18.81 isopropanol 13.75 water 0.1 ethyl acetate 58.55 n-propanol 13.13 acetone 47.03 n-butanol 13.24 acetonitrile 34.63 DMF 96.23 toluene 26.58 isobutanol 10.62 1,4-dioxane 141.52 methyl acetate 61.66 THF 122.41 2-butanone 56.01 n-pentanol 15.6 sec-butanol 16.64 n-hexane 3.33 ethylene glycol 2.97 NMP 93.55 cyclohexane 3.9 DMSO 78.89 n-butyl acetate 35.42 n-octanol 6.12 chloroform 330.52 n-propyl acetate 38.06 acetic acid 38.21 dichloromethane 289.85 cyclohexanone 77.75 propylene glycol 3.6 isopropyl acetate 35.6 DMAc 135.83 2-ethoxyethanol 60.71 isopentanol 15.53 n-heptane 1.19 ethyl formate 29.61 1,2-dichloroethane 185.4 n-hexanol 13.86 2-methoxyethanol 60.49 isobutyl acetate 20.31 tetrachloromethane 35.49 n-pentyl acetate 22.47 transcutol 107.66 n-heptanol 8.61 ethylbenzene 27.29 MIBK 30.05 2-propoxyethanol 48.22 tert-butanol 39.84 MTBE 49.71 2-butoxyethanol 29.01 propionic acid 22.75 o-xylene 30.08 formic acid 19.94 diethyl ether 55.02 m-xylene 18.29 p-xylene 32.53 chlorobenzene 53.76 dimethyl carbonate 30.86 n-octane 0.91 formamide 55.82 cyclopentanone 90.0 2-pentanone 38.14 anisole 64.66 cyclopentyl methyl ether 44.84 gamma-butyrolactone 118.38 1-methoxy-2-propanol 38.75 pyridine 93.12 3-pentanone 48.28 furfural 128.74 n-dodecane 0.68 diethylene glycol 33.19 diisopropyl ether 14.99 tert-amyl alcohol 35.24 acetylacetone 63.38 n-hexadecane 0.81 acetophenone 61.2 methyl propionate 49.88 isopentyl acetate 35.29 trichloroethylene 334.75 n-nonanol 6.87 cyclohexanol 17.66 benzyl alcohol 38.25 2-ethylhexanol 10.82 isooctanol 8.49 dipropyl ether 20.76 1,2-dichlorobenzene 69.85 ethyl lactate 18.88 propylene carbonate 54.86 n-methylformamide 41.54 2-pentanol 11.57 n-pentane 1.64 1-propoxy-2-propanol 29.17 1-methoxy-2-propyl acetate 48.51 2-(2-methoxypropoxy) propanol 37.0 mesitylene 12.55 ε-caprolactone 71.52 p-cymene 11.92 epichlorohydrin 178.03 1,1,1-trichloroethane 128.34 2-aminoethanol 8.12 morpholine-4-carbaldehyde 131.99 sulfolane 123.32 2,2,4-trimethylpentane 2.3 2-methyltetrahydrofuran 73.79 n-hexyl acetate 24.54 isooctane 1.26 2-(2-butoxyethoxy)ethanol 39.06 sec-butyl acetate 28.9 tert-butyl acetate 49.46 decalin 4.72 glycerin 10.41 diglyme 105.91 acrylic acid 25.32 isopropyl myristate 10.61 n-butyric acid 29.19 acetyl acetate 42.55 di(2-ethylhexyl) phthalate 14.67 ethyl propionate 42.93 nitromethane 106.86 1,2-diethoxyethane 50.49 benzonitrile 38.19 trioctyl phosphate 7.87 1-bromopropane 56.6 gamma-valerolactone 147.2 n-decanol 5.04 triethyl phosphate 27.25 4-methyl-2-pentanol 9.67 propionitrile 29.05 vinylene carbonate 58.49 1,1,2-trichlorotrifluoroethane 107.52 DMS 40.97 cumene 17.82 2-octanol 6.35 2-hexanone 36.13 octyl acetate 12.2 limonene 14.39 1,2-dimethoxyethane 149.82 ethyl orthosilicate 26.46 tributyl phosphate 11.23 diacetone alcohol 46.06 N,N-dimethylaniline 48.7 acrylonitrile 41.68 aniline 33.81 1,3-propanediol 16.75 bromobenzene 56.83 dibromomethane 158.93 1,1,2,2-tetrachloroethane 282.02 2-methyl-cyclohexyl acetate 33.48 tetrabutyl urea 15.75 diisobutyl methanol 9.46 2-phenylethanol 32.21 styrene 31.76 dioctyl adipate 20.19 dimethyl sulfate 63.49 ethyl butyrate 34.02 methyl lactate 20.1 butyl lactate 17.05 diethyl carbonate 27.78 propanediol butyl ether 15.1 triethyl orthoformate 29.67 p-tert-butyltoluene 12.02 methyl 4-tert-butylbenzoate 42.57 morpholine 112.43 tert-butylamine 22.58 n-dodecanol 3.84 dimethoxymethane 84.65 ethylene carbonate 46.47 cyrene 49.54 2-ethoxyethyl acetate 44.3 2-ethylhexyl acetate 28.58 1,2,4-trichlorobenzene 83.26 4-methylpyridine 72.15 dibutyl ether 13.76 2,6-dimethyl-4-heptanol 9.46 DEF 59.02 dimethyl isosorbide 82.11 tetrachloroethylene 195.86 eugenol 39.96 triacetin 34.63 span 80 21.79 1,4-butanediol 8.73 1,1-dichloroethane 115.59 2-methyl-1-pentanol 19.04 methyl formate 35.62 2-methyl-1-butanol 13.81 n-decane 1.23 butyronitrile 24.38 3,7-dimethyl-1-octanol 8.22 1-chlorooctane 6.65 1-chlorotetradecane 2.69 n-nonane 1.02 undecane 0.88 tert-butylcyclohexane 3.97 cyclooctane 1.36 cyclopentanol 18.58 tetrahydropyran 70.53 tert-amyl methyl ether 40.52 2,5,8-trioxanonane 74.5 1-hexene 13.77 2-isopropoxyethanol 40.74 2,2,2-trifluoroethanol 29.28 methyl butyrate 49.34 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 |