1-(2,2-Dimethylpropyl)cyclopenta-1,3-diene
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Identifiers
Molecular formula
C10H16SMILES
CC(C)(C)CC1=CC=CC1
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Odor profile
Fragrance Woody 71.8% Spicy 53.34% Citrus 41.98% Green 41.32% Sweet 41.15% Herbal 40.41% Fresh 37.14% Dry 36.69% Terpenic 34.92% Balsamic 33.74% Flavor Woody 49.39% Wood 40.74% Green 40.08% Spice 37.54% Herbal 36.87% Citrus 35.3% Floral 30.18% Spicy 28.68% Fresh 28.25% Bitter 26.63% Odor impact est.
High -
Properties
XLogP3-AA
3.4pKa est.
10.01 (weak base)Molecular weight
136.23 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Very fastBoiling point est.
168°CFlash point
- 43.09 ˚C est.
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Applications
1-(2,2-Dimethylpropyl)cyclopenta-1,3-diene (CAS number: ) is primarily used as an intermediate in organic synthesis and as a reactive dienic building block for specialty polymers. In industrial manufacturing, it serves as a precursor to substituted cyclopentadiene derivatives employed to prepare functional monomers for polymerization. In polymers and plastics, it may function as a monomer or co-monomer to tailor rigidity and conjugation in advanced resins. In coatings and inks, it can act as a reactive diluent or crosslinkable monomer for UV- or thermally cured formulations, improving adhesion and network formation. In adhesives, it can participate in resin formulations to enhance curing behavior and final film properties. In electronics or high-performance materials, it is explored as a building block for specialty resins and conductive or semiconductive materials, subject to design rules and regulations.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 92.37 methanol 74.79 isopropanol 115.12 water 0.22 ethyl acetate 194.46 n-propanol 122.47 acetone 175.8 n-butanol 162.19 acetonitrile 84.89 DMF 204.75 toluene 267.13 isobutanol 135.11 1,4-dioxane 278.68 methyl acetate 169.03 THF 549.79 2-butanone 237.54 n-pentanol 134.91 sec-butanol 174.3 n-hexane 356.11 ethylene glycol 30.12 NMP 356.45 cyclohexane 330.84 DMSO 127.29 n-butyl acetate 376.55 n-octanol 300.4 chloroform 387.13 n-propyl acetate 150.91 acetic acid 70.89 dichloromethane 237.82 cyclohexanone 400.67 propylene glycol 70.07 isopropyl acetate 211.64 DMAc 309.69 2-ethoxyethanol 112.96 isopentanol 196.17 n-heptane 485.13 ethyl formate 75.05 1,2-dichloroethane 181.75 n-hexanol 504.02 2-methoxyethanol 148.03 isobutyl acetate 179.54 tetrachloromethane 121.75 n-pentyl acetate 205.07 transcutol 467.99 n-heptanol 234.68 ethylbenzene 212.2 MIBK 274.23 2-propoxyethanol 403.99 tert-butanol 231.11 MTBE 416.31 2-butoxyethanol 217.37 propionic acid 99.35 o-xylene 251.96 formic acid 16.55 diethyl ether 296.55 m-xylene 282.26 p-xylene 235.54 chlorobenzene 205.49 dimethyl carbonate 97.16 n-octane 165.68 formamide 17.12 cyclopentanone 387.87 2-pentanone 256.03 anisole 267.52 cyclopentyl methyl ether 525.63 gamma-butyrolactone 282.08 1-methoxy-2-propanol 206.81 pyridine 181.91 3-pentanone 257.91 furfural 216.1 n-dodecane 139.97 diethylene glycol 180.36 diisopropyl ether 265.93 tert-amyl alcohol 296.3 acetylacetone 237.81 n-hexadecane 154.34 acetophenone 202.42 methyl propionate 189.65 isopentyl acetate 429.75 trichloroethylene 322.49 n-nonanol 273.08 cyclohexanol 271.45 benzyl alcohol 122.84 2-ethylhexanol 493.35 isooctanol 220.79 dipropyl ether 550.0 1,2-dichlorobenzene 220.1 ethyl lactate 112.58 propylene carbonate 232.01 n-methylformamide 61.28 2-pentanol 201.65 n-pentane 230.22 1-propoxy-2-propanol 467.14 1-methoxy-2-propyl acetate 385.99 2-(2-methoxypropoxy) propanol 374.53 mesitylene 256.34 ε-caprolactone 314.89 p-cymene 282.74 epichlorohydrin 269.55 1,1,1-trichloroethane 331.25 2-aminoethanol 57.2 morpholine-4-carbaldehyde 301.24 sulfolane 382.52 2,2,4-trimethylpentane 189.53 2-methyltetrahydrofuran 489.76 n-hexyl acetate 414.23 isooctane 183.01 2-(2-butoxyethoxy)ethanol 347.98 sec-butyl acetate 181.0 tert-butyl acetate 344.97 decalin 249.66 glycerin 87.08 diglyme 457.44 acrylic acid 77.2 isopropyl myristate 276.74 n-butyric acid 154.48 acetyl acetate 146.44 di(2-ethylhexyl) phthalate 203.99 ethyl propionate 186.91 nitromethane 96.35 1,2-diethoxyethane 290.66 benzonitrile 151.46 trioctyl phosphate 177.94 1-bromopropane 256.55 gamma-valerolactone 341.12 n-decanol 233.33 triethyl phosphate 205.61 4-methyl-2-pentanol 198.93 propionitrile 127.6 vinylene carbonate 159.53 1,1,2-trichlorotrifluoroethane 216.44 DMS 239.64 cumene 202.89 2-octanol 194.14 2-hexanone 219.86 octyl acetate 298.12 limonene 482.59 1,2-dimethoxyethane 260.26 ethyl orthosilicate 214.57 tributyl phosphate 198.46 diacetone alcohol 301.44 N,N-dimethylaniline 242.94 acrylonitrile 110.14 aniline 160.04 1,3-propanediol 76.75 bromobenzene 255.2 dibromomethane 222.87 1,1,2,2-tetrachloroethane 361.36 2-methyl-cyclohexyl acetate 372.77 tetrabutyl urea 254.58 diisobutyl methanol 332.15 2-phenylethanol 253.47 styrene 197.89 dioctyl adipate 283.49 dimethyl sulfate 143.92 ethyl butyrate 300.99 methyl lactate 116.61 butyl lactate 191.96 diethyl carbonate 211.89 propanediol butyl ether 223.94 triethyl orthoformate 292.02 p-tert-butyltoluene 319.87 methyl 4-tert-butylbenzoate 340.59 morpholine 267.73 tert-butylamine 226.52 n-dodecanol 211.03 dimethoxymethane 197.5 ethylene carbonate 144.95 cyrene 237.84 2-ethoxyethyl acetate 206.35 2-ethylhexyl acetate 404.55 1,2,4-trichlorobenzene 272.21 4-methylpyridine 248.37 dibutyl ether 397.45 2,6-dimethyl-4-heptanol 332.15 DEF 255.02 dimethyl isosorbide 515.76 tetrachloroethylene 208.72 eugenol 248.17 triacetin 318.98 span 80 351.15 1,4-butanediol 46.84 1,1-dichloroethane 239.26 2-methyl-1-pentanol 174.54 methyl formate 54.52 2-methyl-1-butanol 198.18 n-decane 199.49 butyronitrile 149.92 3,7-dimethyl-1-octanol 385.61 1-chlorooctane 331.22 1-chlorotetradecane 200.43 n-nonane 218.94 undecane 161.02 tert-butylcyclohexane 270.42 cyclooctane 269.0 cyclopentanol 220.39 tetrahydropyran 409.12 tert-amyl methyl ether 440.78 2,5,8-trioxanonane 417.52 1-hexene 360.5 2-isopropoxyethanol 134.57 2,2,2-trifluoroethanol 34.74 methyl butyrate 196.5 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 |