(3,3-Dimethoxypropen-1-yl)benzene
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Identifiers
Molecular formula
C11H14O2SMILES
COC(C=CC1=CC=CC=C1)OC
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Odor profile
Fragrance Green 88.23% Spicy 65.36% Herbal 53.11% Fresh 50.4% Sweet 48.23% Floral 46.56% Cinnamon 46.51% Leafy 41.5% Hyacinth 38.42% Earthy 37.49% Flavor Green 71.04% Floral 67.28% Fruity 47.53% Bitter 46.66% Hyacinth 35.55% Rose 31.78% Earthy 30.03% Leaf 28.88% Tropical 27.9% Fresh 27.86% Odor impact est.
Medium -
Properties
XLogP3-AA
2.2pKa est.
6.01 (neutral)Molecular weight
178.23 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Moderately slowBoiling point est.
239°CFlash point
- 107.53 ˚C est.
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Synonyms
- Benzene, (3,3-dimethoxy-1-propen-1-yl)-
- DTXSID1063433
- 3,3-dimethoxyprop-1-enylbenzene
- (3,3-Dimethoxypropen-1-yl)benzene
- dimethoxypropenylbenzene
- DTXCID8040278
- MBAOABFNWSOOLU-UHFFFAOYSA-N
- NS00081756
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Applications
For (3,3-Dimethoxypropen-1-yl)benzene, practical applications include serving as an intermediate in organic synthesis; acting as a protected aldehyde-building block via its dimethoxy functionality in multi-step routes; functioning as a functional monomer or precursor for polymers and plastics; serving as a crosslinking agent in coatings and inks; and acting as a precursor for specialty chemicals used in industrial manufacturing.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 505.36 methanol 535.47 isopropanol 275.38 water 1.34 ethyl acetate 913.71 n-propanol 368.28 acetone 350.18 n-butanol 365.51 acetonitrile 575.37 DMF 337.4 toluene 404.97 isobutanol 250.64 1,4-dioxane 1130.13 methyl acetate 503.09 THF 799.96 2-butanone 385.96 n-pentanol 260.88 sec-butanol 288.78 n-hexane 78.43 ethylene glycol 114.31 NMP 247.39 cyclohexane 189.69 DMSO 510.18 n-butyl acetate 336.07 n-octanol 67.2 chloroform 2401.99 n-propyl acetate 315.18 acetic acid 645.13 dichloromethane 2384.19 cyclohexanone 437.78 propylene glycol 126.58 isopropyl acetate 333.27 DMAc 369.01 2-ethoxyethanol 510.73 isopentanol 281.61 n-heptane 60.1 ethyl formate 335.22 1,2-dichloroethane 1341.92 n-hexanol 235.39 2-methoxyethanol 687.43 isobutyl acetate 191.89 tetrachloromethane 319.7 n-pentyl acetate 130.89 transcutol 1174.48 n-heptanol 83.63 ethylbenzene 163.51 MIBK 187.88 2-propoxyethanol 381.46 tert-butanol 427.24 MTBE 436.57 2-butoxyethanol 190.32 propionic acid 321.59 o-xylene 186.77 formic acid 219.98 diethyl ether 929.56 m-xylene 185.96 p-xylene 173.52 chlorobenzene 404.07 dimethyl carbonate 187.48 n-octane 17.63 formamide 367.87 cyclopentanone 383.72 2-pentanone 332.96 anisole 336.2 cyclopentyl methyl ether 427.17 gamma-butyrolactone 515.38 1-methoxy-2-propanol 376.99 pyridine 819.3 3-pentanone 334.31 furfural 549.7 n-dodecane 11.38 diethylene glycol 287.05 diisopropyl ether 164.82 tert-amyl alcohol 353.82 acetylacetone 367.62 n-hexadecane 13.15 acetophenone 251.56 methyl propionate 440.19 isopentyl acetate 262.53 trichloroethylene 2183.83 n-nonanol 67.46 cyclohexanol 316.95 benzyl alcohol 232.58 2-ethylhexanol 158.68 isooctanol 72.19 dipropyl ether 295.59 1,2-dichlorobenzene 354.27 ethyl lactate 133.66 propylene carbonate 331.41 n-methylformamide 246.04 2-pentanol 237.53 n-pentane 90.35 1-propoxy-2-propanol 250.64 1-methoxy-2-propyl acetate 282.42 2-(2-methoxypropoxy) propanol 187.1 mesitylene 110.65 ε-caprolactone 383.13 p-cymene 93.94 epichlorohydrin 967.04 1,1,1-trichloroethane 1025.08 2-aminoethanol 219.23 morpholine-4-carbaldehyde 458.79 sulfolane 468.14 2,2,4-trimethylpentane 39.64 2-methyltetrahydrofuran 607.92 n-hexyl acetate 149.63 isooctane 26.82 2-(2-butoxyethoxy)ethanol 253.39 sec-butyl acetate 216.87 tert-butyl acetate 299.13 decalin 60.8 glycerin 185.85 diglyme 601.8 acrylic acid 287.22 isopropyl myristate 70.92 n-butyric acid 466.29 acetyl acetate 458.36 di(2-ethylhexyl) phthalate 70.34 ethyl propionate 310.14 nitromethane 818.48 1,2-diethoxyethane 483.4 benzonitrile 256.07 trioctyl phosphate 45.33 1-bromopropane 765.48 gamma-valerolactone 489.9 n-decanol 50.13 triethyl phosphate 145.04 4-methyl-2-pentanol 118.78 propionitrile 411.04 vinylene carbonate 343.27 1,1,2-trichlorotrifluoroethane 644.78 DMS 190.18 cumene 100.93 2-octanol 47.08 2-hexanone 229.77 octyl acetate 80.68 limonene 137.86 1,2-dimethoxyethane 727.98 ethyl orthosilicate 155.61 tributyl phosphate 69.91 diacetone alcohol 253.39 N,N-dimethylaniline 197.38 acrylonitrile 429.25 aniline 408.28 1,3-propanediol 319.33 bromobenzene 467.83 dibromomethane 1545.4 1,1,2,2-tetrachloroethane 1597.84 2-methyl-cyclohexyl acetate 184.72 tetrabutyl urea 82.01 diisobutyl methanol 97.97 2-phenylethanol 199.2 styrene 239.84 dioctyl adipate 116.16 dimethyl sulfate 227.51 ethyl butyrate 302.89 methyl lactate 142.92 butyl lactate 92.48 diethyl carbonate 236.53 propanediol butyl ether 115.76 triethyl orthoformate 224.92 p-tert-butyltoluene 90.13 methyl 4-tert-butylbenzoate 165.11 morpholine 1060.96 tert-butylamine 327.13 n-dodecanol 40.29 dimethoxymethane 459.28 ethylene carbonate 288.38 cyrene 182.45 2-ethoxyethyl acetate 229.47 2-ethylhexyl acetate 218.48 1,2,4-trichlorobenzene 411.7 4-methylpyridine 533.14 dibutyl ether 155.53 2,6-dimethyl-4-heptanol 97.97 DEF 432.65 dimethyl isosorbide 308.97 tetrachloroethylene 1097.7 eugenol 161.8 triacetin 201.48 span 80 139.66 1,4-butanediol 125.58 1,1-dichloroethane 1092.28 2-methyl-1-pentanol 234.59 methyl formate 215.67 2-methyl-1-butanol 288.16 n-decane 19.93 butyronitrile 411.49 3,7-dimethyl-1-octanol 87.84 1-chlorooctane 78.65 1-chlorotetradecane 30.82 n-nonane 19.94 undecane 14.16 tert-butylcyclohexane 48.57 cyclooctane 59.08 cyclopentanol 224.22 tetrahydropyran 890.39 tert-amyl methyl ether 319.77 2,5,8-trioxanonane 384.38 1-hexene 231.42 2-isopropoxyethanol 303.29 2,2,2-trifluoroethanol 208.16 methyl butyrate 353.76 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 |