(3,3-Diethoxypropoxy)benzene
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Identifiers
Molecular formula
C13H20O3SMILES
CCOC(CCOC1=CC=CC=C1)OCC
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Odor profile
Fragrance Green 72.21% Sweet 67.03% Floral 62.27% Spicy 49.5% Fresh 47.09% Herbal 45.55% Hyacinth 41.32% Fruity 40.86% Rose 36.46% Almond 34.13% Flavor Green 66.59% Fruity 61.1% Floral 47.49% Earthy 44.68% Sweet 40.13% Rose 33.59% Bitter 31.91% Wine 31.8% Fruit 30.28% Mushroom 28.73% Odor impact est.
Medium -
Properties
XLogP3-AA
2.9pKa est.
7.13 (neutral)Molecular weight
224.3 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Very slowBoiling point est.
275°CFlash point
- 112.26 ˚C est.
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Synonyms
- (3,3-diethoxypropoxy)benzene
- AKOS012939819
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Applications
(3,3-Diethoxypropoxy)benzene is primarily used as an intermediate in organic synthesis; it may function as a solvent or processing aid in coatings, inks, and adhesives; it serves as a precursor for specialty polymers and resins; it is used as a building block in industrial formulations; it may appear as a component in cleaning formulations as a solvent or processing aid.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 497.53 methanol 523.78 isopropanol 355.69 water 1.28 ethyl acetate 1374.56 n-propanol 434.18 acetone 1594.03 n-butanol 447.64 acetonitrile 1463.3 DMF 992.6 toluene 577.41 isobutanol 391.82 1,4-dioxane 1612.63 methyl acetate 1185.02 THF 1707.08 2-butanone 1113.48 n-pentanol 351.59 sec-butanol 429.23 n-hexane 247.03 ethylene glycol 138.01 NMP 1314.75 cyclohexane 538.24 DMSO 2521.73 n-butyl acetate 828.66 n-octanol 227.19 chloroform 5494.69 n-propyl acetate 814.0 acetic acid 1273.69 dichloromethane 6951.6 cyclohexanone 1827.68 propylene glycol 148.28 isopropyl acetate 718.93 DMAc 1337.34 2-ethoxyethanol 604.59 isopentanol 427.82 n-heptane 158.93 ethyl formate 631.61 1,2-dichloroethane 3666.35 n-hexanol 344.15 2-methoxyethanol 718.66 isobutyl acetate 488.69 tetrachloromethane 841.54 n-pentyl acetate 476.04 transcutol 1879.47 n-heptanol 157.11 ethylbenzene 327.49 MIBK 505.93 2-propoxyethanol 552.09 tert-butanol 554.18 MTBE 790.63 2-butoxyethanol 311.33 propionic acid 703.23 o-xylene 397.19 formic acid 293.24 diethyl ether 1231.67 m-xylene 380.8 p-xylene 454.03 chlorobenzene 1092.64 dimethyl carbonate 489.25 n-octane 57.85 formamide 439.1 cyclopentanone 1614.18 2-pentanone 894.61 anisole 597.93 cyclopentyl methyl ether 1093.42 gamma-butyrolactone 1925.83 1-methoxy-2-propanol 530.58 pyridine 1341.71 3-pentanone 971.03 furfural 1294.67 n-dodecane 47.32 diethylene glycol 400.78 diisopropyl ether 329.66 tert-amyl alcohol 546.16 acetylacetone 1275.82 n-hexadecane 55.45 acetophenone 590.1 methyl propionate 958.65 isopentyl acetate 643.55 trichloroethylene 5240.02 n-nonanol 200.21 cyclohexanol 764.22 benzyl alcohol 387.2 2-ethylhexanol 289.66 isooctanol 149.77 dipropyl ether 641.59 1,2-dichlorobenzene 1102.17 ethyl lactate 303.5 propylene carbonate 1068.12 n-methylformamide 502.17 2-pentanol 343.33 n-pentane 177.69 1-propoxy-2-propanol 436.8 1-methoxy-2-propyl acetate 657.82 2-(2-methoxypropoxy) propanol 419.08 mesitylene 259.52 ε-caprolactone 1437.29 p-cymene 216.2 epichlorohydrin 2294.28 1,1,1-trichloroethane 2777.67 2-aminoethanol 232.74 morpholine-4-carbaldehyde 1164.72 sulfolane 2398.09 2,2,4-trimethylpentane 101.27 2-methyltetrahydrofuran 1499.28 n-hexyl acetate 639.96 isooctane 58.84 2-(2-butoxyethoxy)ethanol 499.62 sec-butyl acetate 520.28 tert-butyl acetate 734.04 decalin 191.93 glycerin 250.35 diglyme 1103.87 acrylic acid 641.66 isopropyl myristate 277.21 n-butyric acid 916.73 acetyl acetate 1167.95 di(2-ethylhexyl) phthalate 229.2 ethyl propionate 757.55 nitromethane 2250.01 1,2-diethoxyethane 912.57 benzonitrile 690.07 trioctyl phosphate 166.27 1-bromopropane 1800.54 gamma-valerolactone 1535.69 n-decanol 148.05 triethyl phosphate 377.79 4-methyl-2-pentanol 196.79 propionitrile 808.82 vinylene carbonate 1036.72 1,1,2-trichlorotrifluoroethane 1359.27 DMS 657.85 cumene 222.1 2-octanol 134.62 2-hexanone 671.8 octyl acetate 316.12 limonene 377.96 1,2-dimethoxyethane 1282.51 ethyl orthosilicate 342.78 tributyl phosphate 274.19 diacetone alcohol 546.91 N,N-dimethylaniline 406.94 acrylonitrile 916.85 aniline 572.91 1,3-propanediol 343.59 bromobenzene 1440.96 dibromomethane 4367.53 1,1,2,2-tetrachloroethane 4293.98 2-methyl-cyclohexyl acetate 498.8 tetrabutyl urea 321.93 diisobutyl methanol 184.07 2-phenylethanol 320.2 styrene 456.54 dioctyl adipate 440.24 dimethyl sulfate 869.74 ethyl butyrate 725.52 methyl lactate 355.14 butyl lactate 312.17 diethyl carbonate 582.16 propanediol butyl ether 279.18 triethyl orthoformate 484.74 p-tert-butyltoluene 195.4 methyl 4-tert-butylbenzoate 441.37 morpholine 1516.12 tert-butylamine 426.51 n-dodecanol 122.24 dimethoxymethane 852.36 ethylene carbonate 940.42 cyrene 420.72 2-ethoxyethyl acetate 611.95 2-ethylhexyl acetate 543.57 1,2,4-trichlorobenzene 1205.14 4-methylpyridine 1090.01 dibutyl ether 548.25 2,6-dimethyl-4-heptanol 184.07 DEF 1087.08 dimethyl isosorbide 756.58 tetrachloroethylene 2645.58 eugenol 356.91 triacetin 736.47 span 80 364.03 1,4-butanediol 182.27 1,1-dichloroethane 2841.07 2-methyl-1-pentanol 355.12 methyl formate 503.55 2-methyl-1-butanol 448.78 n-decane 80.47 butyronitrile 780.77 3,7-dimethyl-1-octanol 242.31 1-chlorooctane 298.9 1-chlorotetradecane 128.74 n-nonane 84.49 undecane 57.99 tert-butylcyclohexane 146.7 cyclooctane 149.05 cyclopentanol 657.43 tetrahydropyran 1645.61 tert-amyl methyl ether 640.86 2,5,8-trioxanonane 763.31 1-hexene 514.28 2-isopropoxyethanol 444.35 2,2,2-trifluoroethanol 514.26 methyl butyrate 950.08 Scent© AI
| Maximum acceptable concentrations in the finished product (%) | |||
|---|---|---|---|
|
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 |