(5S,6R,7S,10R)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene
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Identifiers
Molecular formula
C15H24SMILES
C[C@@H]1CC[C@H]([C@H]2C13[C@@H]2C(=CC3)C)C(C)C
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Odor profile
Fragrance Woody 77.8% Herbal 61.54% Spicy 55.8% Green 45.11% Fresh 38.3% Fruity 36.68% Balsamic 35.56% Oily 33.27% Dry 33.11% Citrus 32.98% Flavor Herbal 56.09% Herb 55.67% Woody 54.43% Wood 49.86% Spice 38.37% Green 37.55% Citrus 34.39% Waxy 34.36% Fruity 34.17% Fruit 32.03% Odor impact est.
Medium -
Properties
XLogP3-AA
4.5pKa est.
9.8 (weak base)Molecular weight
204.35 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
SlowBoiling point est.
258°CFlash point
- 60.26 ˚C est.
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Synonyms
- alpha-Cubebene
- (-)-alpha-Cubebene
- LMPR0103440001
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Applications
Chemical name: (5S,6R,7S,10R)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene; CAS number: In fragrance and flavor chemistry, this framework may be used as an odorant or fragrance ingredient and can serve as a chiral building block in the synthesis of fragrance compounds. In cosmetics and personal care, it may be employed as a scent component. In household products, it can function as an odorant additive for cleaners and surface-cleaning products. In industrial manufacturing, it is often evaluated as an intermediate in organic synthesis for developing chiral intermediates. In coatings/inks, it may be used as a fragrance additive to impart aroma.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 80.87 methanol 31.94 isopropanol 115.51 water 0.12 ethyl acetate 232.63 n-propanol 111.56 acetone 226.37 n-butanol 136.28 acetonitrile 103.49 DMF 149.1 toluene 438.36 isobutanol 111.27 1,4-dioxane 533.47 methyl acetate 188.53 THF 898.41 2-butanone 264.21 n-pentanol 85.24 sec-butanol 106.94 n-hexane 57.79 ethylene glycol 9.97 NMP 170.41 cyclohexane 155.28 DMSO 87.78 n-butyl acetate 327.6 n-octanol 111.02 chloroform 455.26 n-propyl acetate 157.16 acetic acid 43.41 dichloromethane 369.48 cyclohexanone 405.59 propylene glycol 20.77 isopropyl acetate 233.61 DMAc 164.59 2-ethoxyethanol 95.14 isopentanol 140.55 n-heptane 96.6 ethyl formate 99.58 1,2-dichloroethane 252.12 n-hexanol 200.73 2-methoxyethanol 115.71 isobutyl acetate 167.91 tetrachloromethane 126.38 n-pentyl acetate 199.15 transcutol 343.25 n-heptanol 110.94 ethylbenzene 195.78 MIBK 226.82 2-propoxyethanol 222.09 tert-butanol 143.32 MTBE 292.63 2-butoxyethanol 142.55 propionic acid 64.2 o-xylene 228.48 formic acid 6.45 diethyl ether 292.72 m-xylene 284.1 p-xylene 249.78 chlorobenzene 269.59 dimethyl carbonate 79.36 n-octane 41.72 formamide 16.58 cyclopentanone 471.63 2-pentanone 256.99 anisole 260.34 cyclopentyl methyl ether 381.41 gamma-butyrolactone 334.66 1-methoxy-2-propanol 132.53 pyridine 395.03 3-pentanone 213.82 furfural 215.54 n-dodecane 32.92 diethylene glycol 95.07 diisopropyl ether 156.22 tert-amyl alcohol 118.37 acetylacetone 283.09 n-hexadecane 39.45 acetophenone 202.39 methyl propionate 161.71 isopentyl acetate 348.57 trichloroethylene 388.82 n-nonanol 116.16 cyclohexanol 170.76 benzyl alcohol 138.48 2-ethylhexanol 156.39 isooctanol 104.59 dipropyl ether 287.91 1,2-dichlorobenzene 223.67 ethyl lactate 61.76 propylene carbonate 191.29 n-methylformamide 53.95 2-pentanol 114.66 n-pentane 68.78 1-propoxy-2-propanol 207.65 1-methoxy-2-propyl acetate 313.37 2-(2-methoxypropoxy) propanol 172.23 mesitylene 198.33 ε-caprolactone 312.25 p-cymene 191.69 epichlorohydrin 363.86 1,1,1-trichloroethane 312.15 2-aminoethanol 26.18 morpholine-4-carbaldehyde 224.95 sulfolane 237.68 2,2,4-trimethylpentane 43.23 2-methyltetrahydrofuran 539.87 n-hexyl acetate 264.19 isooctane 47.5 2-(2-butoxyethoxy)ethanol 202.48 sec-butyl acetate 162.26 tert-butyl acetate 262.89 decalin 75.03 glycerin 24.12 diglyme 356.17 acrylic acid 42.9 isopropyl myristate 154.01 n-butyric acid 127.58 acetyl acetate 179.12 di(2-ethylhexyl) phthalate 118.09 ethyl propionate 162.72 nitromethane 89.96 1,2-diethoxyethane 283.81 benzonitrile 194.62 trioctyl phosphate 89.2 1-bromopropane 242.04 gamma-valerolactone 402.38 n-decanol 92.03 triethyl phosphate 116.12 4-methyl-2-pentanol 103.82 propionitrile 149.8 vinylene carbonate 163.21 1,1,2-trichlorotrifluoroethane 126.29 DMS 177.22 cumene 142.5 2-octanol 89.01 2-hexanone 183.58 octyl acetate 160.91 limonene 219.33 1,2-dimethoxyethane 264.4 ethyl orthosilicate 124.31 tributyl phosphate 99.47 diacetone alcohol 169.55 N,N-dimethylaniline 164.34 acrylonitrile 122.45 aniline 213.29 1,3-propanediol 60.53 bromobenzene 347.81 dibromomethane 297.34 1,1,2,2-tetrachloroethane 295.02 2-methyl-cyclohexyl acetate 223.74 tetrabutyl urea 121.74 diisobutyl methanol 132.94 2-phenylethanol 221.27 styrene 207.82 dioctyl adipate 161.2 dimethyl sulfate 80.81 ethyl butyrate 245.22 methyl lactate 54.9 butyl lactate 113.77 diethyl carbonate 154.78 propanediol butyl ether 101.22 triethyl orthoformate 193.91 p-tert-butyltoluene 195.4 methyl 4-tert-butylbenzoate 200.54 morpholine 431.73 tert-butylamine 120.07 n-dodecanol 77.38 dimethoxymethane 216.55 ethylene carbonate 160.61 cyrene 130.19 2-ethoxyethyl acetate 239.97 2-ethylhexyl acetate 295.46 1,2,4-trichlorobenzene 251.83 4-methylpyridine 378.92 dibutyl ether 202.47 2,6-dimethyl-4-heptanol 132.94 DEF 185.66 dimethyl isosorbide 316.98 tetrachloroethylene 198.39 eugenol 146.05 triacetin 207.3 span 80 152.11 1,4-butanediol 27.65 1,1-dichloroethane 262.19 2-methyl-1-pentanol 94.6 methyl formate 49.06 2-methyl-1-butanol 119.65 n-decane 53.14 butyronitrile 168.06 3,7-dimethyl-1-octanol 133.43 1-chlorooctane 129.18 1-chlorotetradecane 65.07 n-nonane 50.73 undecane 40.94 tert-butylcyclohexane 66.85 cyclooctane 84.25 cyclopentanol 165.79 tetrahydropyran 610.24 tert-amyl methyl ether 187.3 2,5,8-trioxanonane 252.26 1-hexene 127.24 2-isopropoxyethanol 100.11 2,2,2-trifluoroethanol 22.31 methyl butyrate 175.36 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 |