1a,7b-Dihydrocyclopropa[c]chromen-2-one
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Identifiers
Molecular formula
C10H8O2SMILES
C1C2C1C(=O)OC3=CC=CC=C23
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Odor profile
Fragrance Green 70.05% Spicy 62.62% Coumarinic 54.99% Sweet 49.11% Nutty 48.89% Herbal 47.08% Coconut 45.21% Phenolic 36.86% Balsamic 34.91% Vanilla 34.61% Flavor Bitter 87.01% Herbal 26.39% Tonka 25.36% Lovage 20.69% Cedarleaf 20.13% Coconut 19.66% Naphthalic 19.44% Moth ball 18.95% Nitrile 18.83% Fenugreek 18.79% Odor impact est.
High -
Properties
XLogP3-AA
1.6pKa est.
8.41 (weak base)Molecular weight
160.17 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Ultra slowBoiling point est.
307°CFlash point
- 118.82 ˚C est.
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Synonyms
- SCHEMBL14135291
- 1a,7b-dihydrocyclopropa[c]chromen-2-one
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Applications
1a,7b-Dihydrocyclopropa[c]chromen-2-one may serve as a versatile synthetic intermediate and building block in medicinal chemistry, enabling the construction of more complex bioactive heterocycles. It is often evaluated as a scaffold to diversify chromene-based compounds in pharmaceutical research. In fragrance and perfumery, related chromene-lactone motifs are sometimes explored as odor-active frameworks or fragrance intermediates, offering potential as a component in scent formulations. In polymer and coatings development, the cyclopropane–chromene lactone core can be used as a precursor for functionalized monomers or crosslinkable additives in specialty polymers and coatings. Additionally, it may be encountered in organic synthesis workflows as a preparative building block for broader chemical libraries.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 32.61 methanol 51.12 isopropanol 24.56 water 0.39 ethyl acetate 86.1 n-propanol 25.43 acetone 146.88 n-butanol 24.53 acetonitrile 81.22 DMF 247.25 toluene 33.66 isobutanol 19.56 1,4-dioxane 210.62 methyl acetate 123.91 THF 194.5 2-butanone 107.98 n-pentanol 25.66 sec-butanol 21.13 n-hexane 1.42 ethylene glycol 28.27 NMP 163.13 cyclohexane 1.62 DMSO 226.49 n-butyl acetate 73.23 n-octanol 20.7 chloroform 172.46 n-propyl acetate 82.33 acetic acid 71.48 dichloromethane 251.67 cyclohexanone 130.6 propylene glycol 16.89 isopropyl acetate 66.24 DMAc 168.84 2-ethoxyethanol 101.1 isopentanol 29.88 n-heptane 2.09 ethyl formate 65.38 1,2-dichloroethane 165.95 n-hexanol 29.77 2-methoxyethanol 145.4 isobutyl acetate 59.18 tetrachloromethane 17.95 n-pentyl acetate 55.41 transcutol 456.92 n-heptanol 21.26 ethylbenzene 25.76 MIBK 63.23 2-propoxyethanol 106.19 tert-butanol 39.34 MTBE 47.5 2-butoxyethanol 71.96 propionic acid 51.44 o-xylene 26.35 formic acid 38.32 diethyl ether 41.95 m-xylene 28.76 p-xylene 35.94 chlorobenzene 69.94 dimethyl carbonate 79.24 n-octane 1.56 formamide 94.86 cyclopentanone 202.65 2-pentanone 76.88 anisole 87.18 cyclopentyl methyl ether 57.5 gamma-butyrolactone 247.16 1-methoxy-2-propanol 92.38 pyridine 138.79 3-pentanone 60.51 furfural 231.51 n-dodecane 2.3 diethylene glycol 123.09 diisopropyl ether 18.35 tert-amyl alcohol 31.74 acetylacetone 170.62 n-hexadecane 2.72 acetophenone 94.32 methyl propionate 80.52 isopentyl acetate 70.9 trichloroethylene 302.15 n-nonanol 21.24 cyclohexanol 23.95 benzyl alcohol 64.98 2-ethylhexanol 23.35 isooctanol 20.9 dipropyl ether 26.22 1,2-dichlorobenzene 82.77 ethyl lactate 47.26 propylene carbonate 109.2 n-methylformamide 106.8 2-pentanol 18.55 n-pentane 1.13 1-propoxy-2-propanol 64.33 1-methoxy-2-propyl acetate 100.08 2-(2-methoxypropoxy) propanol 88.19 mesitylene 20.45 ε-caprolactone 122.61 p-cymene 18.49 epichlorohydrin 313.96 1,1,1-trichloroethane 90.11 2-aminoethanol 30.03 morpholine-4-carbaldehyde 251.25 sulfolane 229.62 2,2,4-trimethylpentane 2.1 2-methyltetrahydrofuran 92.96 n-hexyl acetate 74.47 isooctane 2.12 2-(2-butoxyethoxy)ethanol 120.71 sec-butyl acetate 57.65 tert-butyl acetate 81.39 decalin 3.89 glycerin 46.54 diglyme 256.83 acrylic acid 62.53 isopropyl myristate 32.74 n-butyric acid 56.59 acetyl acetate 82.57 di(2-ethylhexyl) phthalate 35.49 ethyl propionate 67.51 nitromethane 229.89 1,2-diethoxyethane 103.85 benzonitrile 91.61 trioctyl phosphate 23.61 1-bromopropane 39.5 gamma-valerolactone 283.26 n-decanol 17.61 triethyl phosphate 36.8 4-methyl-2-pentanol 19.3 propionitrile 57.23 vinylene carbonate 116.64 1,1,2-trichlorotrifluoroethane 148.24 DMS 119.86 cumene 20.32 2-octanol 15.66 2-hexanone 71.22 octyl acetate 39.14 limonene 19.86 1,2-dimethoxyethane 195.95 ethyl orthosilicate 33.15 tributyl phosphate 30.39 diacetone alcohol 88.65 N,N-dimethylaniline 52.73 acrylonitrile 101.69 aniline 47.76 1,3-propanediol 51.4 bromobenzene 72.61 dibromomethane 105.89 1,1,2,2-tetrachloroethane 171.01 2-methyl-cyclohexyl acetate 50.48 tetrabutyl urea 39.38 diisobutyl methanol 19.03 2-phenylethanol 63.77 styrene 33.76 dioctyl adipate 47.4 dimethyl sulfate 123.76 ethyl butyrate 53.95 methyl lactate 58.54 butyl lactate 46.92 diethyl carbonate 47.85 propanediol butyl ether 65.2 triethyl orthoformate 41.87 p-tert-butyltoluene 18.55 methyl 4-tert-butylbenzoate 74.77 morpholine 153.19 tert-butylamine 18.78 n-dodecanol 14.68 dimethoxymethane 160.93 ethylene carbonate 94.24 cyrene 84.91 2-ethoxyethyl acetate 116.95 2-ethylhexyl acetate 54.23 1,2,4-trichlorobenzene 94.54 4-methylpyridine 111.95 dibutyl ether 32.02 2,6-dimethyl-4-heptanol 19.03 DEF 89.67 dimethyl isosorbide 135.19 tetrachloroethylene 108.73 eugenol 81.63 triacetin 102.76 span 80 56.63 1,4-butanediol 28.56 1,1-dichloroethane 92.18 2-methyl-1-pentanol 31.06 methyl formate 106.07 2-methyl-1-butanol 23.12 n-decane 2.94 butyronitrile 45.34 3,7-dimethyl-1-octanol 27.0 1-chlorooctane 14.76 1-chlorotetradecane 8.67 n-nonane 2.33 undecane 2.57 tert-butylcyclohexane 3.97 cyclooctane 1.09 cyclopentanol 31.6 tetrahydropyran 73.62 tert-amyl methyl ether 35.74 2,5,8-trioxanonane 157.38 1-hexene 8.69 2-isopropoxyethanol 76.37 2,2,2-trifluoroethanol 50.97 methyl butyrate 83.41 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 |