2,5-Dimethyl-bicyclo[3.2.1]oct-2-ene
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Identifiers
Molecular formula
C10H16SMILES
CC1=CCC2(CCC1C2)C
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Odor profile
Fragrance Woody 73.8% Green 60.05% Spicy 47.94% Citrus 43.66% Dry 41.65% Sweet 41.32% Fresh 41.04% Terpenic 37.91% Herbal 37.1% Earthy 32.27% Flavor Wood 39.79% Woody 39.31% Dry 35.35% Sweet 34.34% Earthy 28.51% Spice 25.87% Camphor 24.86% Fir needle 24.22% Fresh 23.65% Pine 23.42% Odor impact est.
High -
Properties
XLogP3-AA
3.1pKa est.
10.37 (weak base)Molecular weight
136.23 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Very fastBoiling point est.
166°CFlash point
- 42.84 ˚C est.
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Synonyms
- PAEXSHAXVKIDGD-UHFFFAOYSA-N
- 2,5-dimethyl-bicyclo[3.2.1]oct-2-ene
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Applications
Chemical name: 2,5-Dimethyl-bicyclo[3.2.1]oct-2-ene; CAS number: The compound is used as an intermediate in organic synthesis, providing a rigid hydrocarbon framework for diverse synthetic steps. It is also employed as a building block for specialty polymers and ROMP-derived materials, serving as a scaffold in polymer chemistry. In research contexts, it may be evaluated as a scaffold for medicinal and agrochemical lead discovery. In fragrance development, it may be studied as a potential odor intermediate in perfumery. In coatings and inks, it can be considered as a hydrocarbon additive to influence film properties and compatibility.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 491.07 methanol 307.93 isopropanol 555.13 water 0.75 ethyl acetate 1092.53 n-propanol 570.82 acetone 748.9 n-butanol 613.92 acetonitrile 593.0 DMF 528.81 toluene 765.17 isobutanol 453.56 1,4-dioxane 1330.06 methyl acetate 853.66 THF 1444.97 2-butanone 861.18 n-pentanol 359.39 sec-butanol 513.48 n-hexane 274.24 ethylene glycol 79.21 NMP 302.19 cyclohexane 284.75 DMSO 329.64 n-butyl acetate 1076.63 n-octanol 420.0 chloroform 1437.6 n-propyl acetate 483.59 acetic acid 189.4 dichloromethane 1043.19 cyclohexanone 689.35 propylene glycol 175.62 isopropyl acetate 785.58 DMAc 532.56 2-ethoxyethanol 456.92 isopentanol 580.46 n-heptane 289.76 ethyl formate 371.78 1,2-dichloroethane 673.46 n-hexanol 885.35 2-methoxyethanol 648.51 isobutyl acetate 422.24 tetrachloromethane 372.96 n-pentyl acetate 470.58 transcutol 1917.92 n-heptanol 401.35 ethylbenzene 386.03 MIBK 641.84 2-propoxyethanol 1151.15 tert-butanol 706.03 MTBE 1083.04 2-butoxyethanol 585.71 propionic acid 314.29 o-xylene 434.15 formic acid 51.53 diethyl ether 1184.26 m-xylene 605.94 p-xylene 436.9 chlorobenzene 515.12 dimethyl carbonate 294.66 n-octane 124.06 formamide 111.1 cyclopentanone 747.17 2-pentanone 786.51 anisole 662.85 cyclopentyl methyl ether 808.69 gamma-butyrolactone 641.54 1-methoxy-2-propanol 728.16 pyridine 801.24 3-pentanone 633.72 furfural 506.01 n-dodecane 98.38 diethylene glycol 501.13 diisopropyl ether 554.72 tert-amyl alcohol 531.59 acetylacetone 772.96 n-hexadecane 110.9 acetophenone 412.14 methyl propionate 694.91 isopentyl acetate 925.43 trichloroethylene 1032.98 n-nonanol 391.32 cyclohexanol 393.62 benzyl alcohol 330.06 2-ethylhexanol 608.34 isooctanol 344.35 dipropyl ether 985.47 1,2-dichlorobenzene 465.38 ethyl lactate 212.78 propylene carbonate 421.52 n-methylformamide 281.79 2-pentanol 522.18 n-pentane 267.96 1-propoxy-2-propanol 1008.2 1-methoxy-2-propyl acetate 992.33 2-(2-methoxypropoxy) propanol 622.81 mesitylene 414.89 ε-caprolactone 642.92 p-cymene 346.53 epichlorohydrin 837.29 1,1,1-trichloroethane 890.26 2-aminoethanol 204.22 morpholine-4-carbaldehyde 598.87 sulfolane 431.71 2,2,4-trimethylpentane 131.94 2-methyltetrahydrofuran 979.29 n-hexyl acetate 746.46 isooctane 166.23 2-(2-butoxyethoxy)ethanol 811.62 sec-butyl acetate 455.43 tert-butyl acetate 804.53 decalin 168.52 glycerin 183.39 diglyme 1282.2 acrylic acid 200.5 isopropyl myristate 376.99 n-butyric acid 537.59 acetyl acetate 575.1 di(2-ethylhexyl) phthalate 240.07 ethyl propionate 541.43 nitromethane 439.72 1,2-diethoxyethane 1139.95 benzonitrile 425.58 trioctyl phosphate 186.92 1-bromopropane 762.88 gamma-valerolactone 835.68 n-decanol 321.05 triethyl phosphate 260.57 4-methyl-2-pentanol 442.09 propionitrile 719.47 vinylene carbonate 410.12 1,1,2-trichlorotrifluoroethane 403.13 DMS 499.05 cumene 297.49 2-octanol 288.07 2-hexanone 515.34 octyl acetate 413.71 limonene 441.01 1,2-dimethoxyethane 887.43 ethyl orthosilicate 285.09 tributyl phosphate 245.61 diacetone alcohol 617.76 N,N-dimethylaniline 408.89 acrylonitrile 642.59 aniline 519.65 1,3-propanediol 320.34 bromobenzene 644.85 dibromomethane 772.04 1,1,2,2-tetrachloroethane 851.23 2-methyl-cyclohexyl acetate 434.52 tetrabutyl urea 261.16 diisobutyl methanol 403.79 2-phenylethanol 556.04 styrene 429.8 dioctyl adipate 354.65 dimethyl sulfate 260.89 ethyl butyrate 696.92 methyl lactate 262.18 butyl lactate 317.45 diethyl carbonate 423.94 propanediol butyl ether 420.07 triethyl orthoformate 489.59 p-tert-butyltoluene 378.22 methyl 4-tert-butylbenzoate 489.8 morpholine 1173.02 tert-butylamine 642.62 n-dodecanol 264.38 dimethoxymethane 781.4 ethylene carbonate 406.77 cyrene 256.86 2-ethoxyethyl acetate 649.88 2-ethylhexyl acetate 729.46 1,2,4-trichlorobenzene 482.42 4-methylpyridine 791.4 dibutyl ether 717.19 2,6-dimethyl-4-heptanol 403.79 DEF 563.31 dimethyl isosorbide 790.5 tetrachloroethylene 545.27 eugenol 412.71 triacetin 515.73 span 80 454.04 1,4-butanediol 123.46 1,1-dichloroethane 887.38 2-methyl-1-pentanol 359.13 methyl formate 222.98 2-methyl-1-butanol 491.44 n-decane 152.82 butyronitrile 696.88 3,7-dimethyl-1-octanol 510.84 1-chlorooctane 373.93 1-chlorotetradecane 186.68 n-nonane 156.7 undecane 118.83 tert-butylcyclohexane 175.08 cyclooctane 169.28 cyclopentanol 346.6 tetrahydropyran 1201.89 tert-amyl methyl ether 674.22 2,5,8-trioxanonane 851.02 1-hexene 537.36 2-isopropoxyethanol 423.02 2,2,2-trifluoroethanol 100.52 methyl butyrate 531.52 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
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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 |