6,6,10,10-tetramethyl-5,7,8,9,10,10a-hexahydro-6H-6a,9-methanobenzo[H]quinazoline
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Identifiers
Molecular formula
C17H24N2SMILES
CC1(CC2=CN=CN=C2C3C14CCC(C4)C3(C)C)C
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Odor profile
Fragrance Woody 72.74% Amber 59.54% Musk 56.19% Dry 46.54% Animal 44.28% Vetiver 43.45% Cedar 35.24% Powdery 34.96% Earthy 33.05% Floral 32.85% Flavor Woody 51.02% Camphor 44.55% Earthy 37.43% Bitter 37.36% Earth 30.63% Pine 30.01% Medical 25.86% Fir needle 25.13% Musty 24.25% Patchouli 23.87% Odor impact est.
Medium -
Properties
XLogP3-AA
4.2pKa est.
5.8 (weak acid)Molecular weight
256.4 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Ultra slowBoiling point est.
403°CFlash point
- 154.5 ˚C est.
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Synonyms
- SCHEMBL11907863
- PREWEOGLDCKRRH-UHFFFAOYSA-N
- 6,6,10,10-tetramethyl-5,7,8,9,10,10a-hexahydro-6H-6a,9-methanobenzo[H]quinazoline
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Applications
6,6,10,10-tetramethyl-5,7,8,9,10,10a-hexahydro-6H-6a,9-methanobenzo[H]quinazoline is commonly used as a synthetic intermediate and building block in pharmaceutical research, enabling access to quinazoline-containing heterocycles. In medicinal chemistry, it provides a rigid polycyclic scaffold for library design and structure-activity relationship (SAR) studies of related compounds. It may also be evaluated in academic and contract research settings as a starting material for the synthesis of novel heterocycles and as a reference substrate for method development in organic synthesis. Use is subject to local regulations and formulation limits.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 27.99 methanol 27.95 isopropanol 39.09 water 0.65 ethyl acetate 106.26 n-propanol 45.15 acetone 140.33 n-butanol 48.98 acetonitrile 71.6 DMF 231.1 toluene 170.75 isobutanol 48.75 1,4-dioxane 177.33 methyl acetate 120.64 THF 350.06 2-butanone 155.43 n-pentanol 29.63 sec-butanol 35.72 n-hexane 3.49 ethylene glycol 18.6 NMP 234.71 cyclohexane 13.03 DMSO 104.57 n-butyl acetate 108.52 n-octanol 35.58 chloroform 443.86 n-propyl acetate 69.41 acetic acid 41.44 dichloromethane 322.94 cyclohexanone 268.84 propylene glycol 23.9 isopropyl acetate 91.95 DMAc 191.95 2-ethoxyethanol 47.61 isopentanol 51.68 n-heptane 6.47 ethyl formate 85.69 1,2-dichloroethane 203.43 n-hexanol 70.03 2-methoxyethanol 92.86 isobutyl acetate 74.47 tetrachloromethane 83.07 n-pentyl acetate 100.28 transcutol 82.61 n-heptanol 51.48 ethylbenzene 65.4 MIBK 96.14 2-propoxyethanol 121.35 tert-butanol 48.71 MTBE 56.67 2-butoxyethanol 88.68 propionic acid 60.53 o-xylene 104.73 formic acid 17.23 diethyl ether 51.84 m-xylene 125.7 p-xylene 109.94 chlorobenzene 206.85 dimethyl carbonate 95.54 n-octane 4.53 formamide 32.5 cyclopentanone 396.35 2-pentanone 118.29 anisole 93.77 cyclopentyl methyl ether 144.6 gamma-butyrolactone 355.66 1-methoxy-2-propanol 97.39 pyridine 255.16 3-pentanone 114.45 furfural 305.48 n-dodecane 4.28 diethylene glycol 87.15 diisopropyl ether 28.21 tert-amyl alcohol 40.71 acetylacetone 172.19 n-hexadecane 5.24 acetophenone 117.15 methyl propionate 119.55 isopentyl acetate 125.41 trichloroethylene 448.73 n-nonanol 36.53 cyclohexanol 71.24 benzyl alcohol 84.41 2-ethylhexanol 55.25 isooctanol 46.31 dipropyl ether 42.44 1,2-dichlorobenzene 204.4 ethyl lactate 53.37 propylene carbonate 208.03 n-methylformamide 100.64 2-pentanol 33.65 n-pentane 5.12 1-propoxy-2-propanol 91.31 1-methoxy-2-propyl acetate 138.85 2-(2-methoxypropoxy) propanol 72.16 mesitylene 73.11 ε-caprolactone 198.67 p-cymene 62.64 epichlorohydrin 338.03 1,1,1-trichloroethane 233.96 2-aminoethanol 30.19 morpholine-4-carbaldehyde 234.25 sulfolane 325.4 2,2,4-trimethylpentane 6.0 2-methyltetrahydrofuran 183.86 n-hexyl acetate 103.95 isooctane 5.72 2-(2-butoxyethoxy)ethanol 76.37 sec-butyl acetate 57.63 tert-butyl acetate 95.12 decalin 10.57 glycerin 39.83 diglyme 132.14 acrylic acid 65.78 isopropyl myristate 46.29 n-butyric acid 84.22 acetyl acetate 89.6 di(2-ethylhexyl) phthalate 61.09 ethyl propionate 70.65 nitromethane 128.0 1,2-diethoxyethane 53.38 benzonitrile 172.64 trioctyl phosphate 48.41 1-bromopropane 91.47 gamma-valerolactone 392.8 n-decanol 29.03 triethyl phosphate 52.22 4-methyl-2-pentanol 35.6 propionitrile 98.34 vinylene carbonate 211.31 1,1,2-trichlorotrifluoroethane 183.22 DMS 128.03 cumene 51.89 2-octanol 35.44 2-hexanone 74.9 octyl acetate 58.34 limonene 66.23 1,2-dimethoxyethane 92.58 ethyl orthosilicate 48.82 tributyl phosphate 50.75 diacetone alcohol 99.16 N,N-dimethylaniline 69.95 acrylonitrile 132.58 aniline 130.14 1,3-propanediol 46.39 bromobenzene 242.61 dibromomethane 191.34 1,1,2,2-tetrachloroethane 320.54 2-methyl-cyclohexyl acetate 89.82 tetrabutyl urea 63.27 diisobutyl methanol 36.77 2-phenylethanol 130.21 styrene 68.94 dioctyl adipate 59.88 dimethyl sulfate 143.49 ethyl butyrate 71.45 methyl lactate 76.12 butyl lactate 82.51 diethyl carbonate 58.1 propanediol butyl ether 63.97 triethyl orthoformate 60.43 p-tert-butyltoluene 59.27 methyl 4-tert-butylbenzoate 113.14 morpholine 158.17 tert-butylamine 31.13 n-dodecanol 22.98 dimethoxymethane 159.42 ethylene carbonate 171.94 cyrene 110.11 2-ethoxyethyl acetate 118.02 2-ethylhexyl acetate 107.85 1,2,4-trichlorobenzene 235.75 4-methylpyridine 245.48 dibutyl ether 30.37 2,6-dimethyl-4-heptanol 36.77 DEF 107.6 dimethyl isosorbide 163.26 tetrachloroethylene 209.52 eugenol 109.91 triacetin 99.29 span 80 69.23 1,4-butanediol 22.67 1,1-dichloroethane 200.52 2-methyl-1-pentanol 34.29 methyl formate 107.89 2-methyl-1-butanol 45.81 n-decane 6.9 butyronitrile 86.04 3,7-dimethyl-1-octanol 42.2 1-chlorooctane 33.14 1-chlorotetradecane 15.21 n-nonane 5.68 undecane 5.33 tert-butylcyclohexane 9.43 cyclooctane 6.83 cyclopentanol 90.94 tetrahydropyran 159.04 tert-amyl methyl ether 47.6 2,5,8-trioxanonane 95.89 1-hexene 15.18 2-isopropoxyethanol 45.36 2,2,2-trifluoroethanol 43.31 methyl butyrate 85.79 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 |