(1aS,4aS,7R,7aS,7bS)-1,1,7-Trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulen-7-ol
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Identifiers
Molecular formula
C15H24OSMILES
C[C@]1(CC[C@H]2[C@@H]1C3C(C3(C)C)CCC2=C)O
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Odor profile
Fragrance Woody 72.05% Fruity 65.09% Herbal 59.3% Spicy 50.58% Earthy 47.11% Sweet 43.83% Balsamic 42.91% Camphoreous 40.13% Fresh 37.83% Mint 37.57% Flavor Fruity 74.45% Herbal 58.33% Herb 49.9% Fruit 49.7% Woody 44.31% Minty 42.28% Green 41.62% Sweet 38.51% Earthy 38.28% Tropical 30.66% Odor impact est.
Medium -
Properties
XLogP3-AA
3.1pKa est.
9.65 (weak base)Molecular weight
220.35 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
SlowBoiling point est.
315°CFlash point
- 89.48 ˚C est.
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Synonyms
- 1H-Cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, [1aS-(1a.alpha.,4a.alpha.,7.beta.)]
- 1,1,7-Trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulen-7-ol #
- (1aS,4aS,7R,7aS,7bS)-1,1,7-Trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulen-7-ol
- FRMCCTDTYSRUBE-VOSWHAFNSA-N
- 1H-Cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, *1aS-(1a.alpha.,4a.alpha.,7.beta.
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Applications
(1aS,4aS,7R,7aS,7bS)-1,1,7-Trimethyl-4-methylenedecahydro-1H-cyclopropa[e]azulen-7-ol may serve as an odorant and fragrance component in perfumery and cosmetics, with potential to act as a fragrance fixative in formulations. It is also evaluated for aroma applications in flavor formulations for foods and beverages. Its chiral characteristics make it a potential building block/intermediate in the synthesis of fine chemicals, including derivatives for pharmaceutical and agrochemical candidates. Additionally, it may be considered for use in cleaning products as a fragrance additive and in industrial manufacturing as an intermediate in small-molecule chiral syntheses.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 274.07 methanol 235.72 isopropanol 355.71 water 0.83 ethyl acetate 235.34 n-propanol 276.99 acetone 381.16 n-butanol 270.72 acetonitrile 179.89 DMF 468.79 toluene 194.37 isobutanol 235.5 1,4-dioxane 497.08 methyl acetate 245.56 THF 1028.1 2-butanone 351.41 n-pentanol 146.38 sec-butanol 218.3 n-hexane 14.33 ethylene glycol 77.22 NMP 206.85 cyclohexane 31.44 DMSO 287.85 n-butyl acetate 196.6 n-octanol 134.19 chloroform 525.21 n-propyl acetate 149.31 acetic acid 108.1 dichloromethane 348.68 cyclohexanone 378.93 propylene glycol 133.08 isopropyl acetate 218.09 DMAc 310.4 2-ethoxyethanol 230.38 isopentanol 240.15 n-heptane 20.88 ethyl formate 178.67 1,2-dichloroethane 220.08 n-hexanol 235.73 2-methoxyethanol 437.66 isobutyl acetate 147.22 tetrachloromethane 86.43 n-pentyl acetate 163.64 transcutol 366.57 n-heptanol 138.35 ethylbenzene 103.12 MIBK 243.86 2-propoxyethanol 404.04 tert-butanol 334.2 MTBE 286.72 2-butoxyethanol 247.07 propionic acid 128.84 o-xylene 109.38 formic acid 38.84 diethyl ether 238.47 m-xylene 147.35 p-xylene 134.71 chlorobenzene 172.86 dimethyl carbonate 121.73 n-octane 13.21 formamide 72.87 cyclopentanone 549.73 2-pentanone 306.51 anisole 206.95 cyclopentyl methyl ether 281.61 gamma-butyrolactone 432.51 1-methoxy-2-propanol 397.62 pyridine 332.97 3-pentanone 201.31 furfural 327.54 n-dodecane 12.85 diethylene glycol 288.71 diisopropyl ether 90.4 tert-amyl alcohol 202.34 acetylacetone 319.9 n-hexadecane 14.8 acetophenone 171.14 methyl propionate 205.26 isopentyl acetate 221.45 trichloroethylene 367.48 n-nonanol 123.26 cyclohexanol 188.52 benzyl alcohol 174.8 2-ethylhexanol 122.97 isooctanol 118.76 dipropyl ether 135.16 1,2-dichlorobenzene 148.68 ethyl lactate 118.11 propylene carbonate 225.47 n-methylformamide 193.29 2-pentanol 181.75 n-pentane 21.32 1-propoxy-2-propanol 288.95 1-methoxy-2-propyl acetate 274.25 2-(2-methoxypropoxy) propanol 202.77 mesitylene 89.52 ε-caprolactone 280.5 p-cymene 81.74 epichlorohydrin 499.93 1,1,1-trichloroethane 223.56 2-aminoethanol 151.14 morpholine-4-carbaldehyde 345.06 sulfolane 349.15 2,2,4-trimethylpentane 14.38 2-methyltetrahydrofuran 433.28 n-hexyl acetate 220.64 isooctane 17.82 2-(2-butoxyethoxy)ethanol 251.85 sec-butyl acetate 126.53 tert-butyl acetate 225.81 decalin 19.9 glycerin 159.05 diglyme 410.9 acrylic acid 106.21 isopropyl myristate 99.16 n-butyric acid 211.01 acetyl acetate 155.23 di(2-ethylhexyl) phthalate 99.66 ethyl propionate 141.46 nitromethane 228.77 1,2-diethoxyethane 178.04 benzonitrile 207.21 trioctyl phosphate 80.06 1-bromopropane 168.45 gamma-valerolactone 587.47 n-decanol 94.17 triethyl phosphate 83.65 4-methyl-2-pentanol 144.14 propionitrile 233.84 vinylene carbonate 217.74 1,1,2-trichlorotrifluoroethane 271.8 DMS 156.4 cumene 78.24 2-octanol 105.44 2-hexanone 182.26 octyl acetate 123.27 limonene 91.48 1,2-dimethoxyethane 391.78 ethyl orthosilicate 81.57 tributyl phosphate 81.82 diacetone alcohol 258.26 N,N-dimethylaniline 132.85 acrylonitrile 239.02 aniline 181.66 1,3-propanediol 238.61 bromobenzene 174.03 dibromomethane 239.89 1,1,2,2-tetrachloroethane 319.51 2-methyl-cyclohexyl acetate 140.84 tetrabutyl urea 105.33 diisobutyl methanol 99.08 2-phenylethanol 218.09 styrene 108.73 dioctyl adipate 112.72 dimethyl sulfate 144.85 ethyl butyrate 143.91 methyl lactate 151.54 butyl lactate 148.18 diethyl carbonate 101.44 propanediol butyl ether 214.47 triethyl orthoformate 114.51 p-tert-butyltoluene 84.98 methyl 4-tert-butylbenzoate 178.56 morpholine 490.52 tert-butylamine 198.66 n-dodecanol 72.19 dimethoxymethane 410.53 ethylene carbonate 192.36 cyrene 172.23 2-ethoxyethyl acetate 210.48 2-ethylhexyl acetate 159.21 1,2,4-trichlorobenzene 168.08 4-methylpyridine 332.16 dibutyl ether 116.17 2,6-dimethyl-4-heptanol 99.08 DEF 217.54 dimethyl isosorbide 269.48 tetrachloroethylene 201.15 eugenol 177.32 triacetin 178.0 span 80 165.48 1,4-butanediol 105.51 1,1-dichloroethane 265.56 2-methyl-1-pentanol 130.17 methyl formate 166.6 2-methyl-1-butanol 190.65 n-decane 21.33 butyronitrile 255.9 3,7-dimethyl-1-octanol 131.22 1-chlorooctane 79.31 1-chlorotetradecane 33.51 n-nonane 18.4 undecane 16.17 tert-butylcyclohexane 21.12 cyclooctane 13.61 cyclopentanol 241.65 tetrahydropyran 463.01 tert-amyl methyl ether 157.72 2,5,8-trioxanonane 278.82 1-hexene 59.71 2-isopropoxyethanol 194.12 2,2,2-trifluoroethanol 62.33 methyl butyrate 180.97 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
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No restriction |
Category 9
Products with body and hand exposure, primarily rinse off
|
No restriction |
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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
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No restriction |
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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
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No restriction |
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Category 6
Products with oral and lip exposure
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No restriction |
Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
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No restriction |