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tea tree oil

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tea tree oil
tea tree oil

Chemical names and formulas

formula | C_18H_18N_3O·HCl Hill formula | C_18H_20ClN_3O name | tea tree oil IUPAC name | 9-methyl-3-[(2-methyl-1-imidazolyl)methyl]-2, 3-dihydro-1H-carbazol-4-one hydrochloride alternate names | 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2, 3-dihydro-1H-carbazol-4-one hydrochloride mass fractions | C (carbon) 65.5% | Cl (chlorine) 10.7% | H (hydrogen) 6.11% | N (nitrogen) 12.7% | O (oxygen) 4.85%
formula | C_18H_18N_3O·HCl Hill formula | C_18H_20ClN_3O name | tea tree oil IUPAC name | 9-methyl-3-[(2-methyl-1-imidazolyl)methyl]-2, 3-dihydro-1H-carbazol-4-one hydrochloride alternate names | 9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2, 3-dihydro-1H-carbazol-4-one hydrochloride mass fractions | C (carbon) 65.5% | Cl (chlorine) 10.7% | H (hydrogen) 6.11% | N (nitrogen) 12.7% | O (oxygen) 4.85%

Structure diagram

Structure diagram
Structure diagram

Basic properties

molar mass | 329.83 g/mol phase | liquid (at STP) boiling point | 165 °C density | 0.878 g/cm^3
molar mass | 329.83 g/mol phase | liquid (at STP) boiling point | 165 °C density | 0.878 g/cm^3

Units

Liquid properties (at STP)

density | 0.878 g/cm^3 refractive index | 1.478
density | 0.878 g/cm^3 refractive index | 1.478

Units

Chemical identifiers

CAS number | 68647-73-4 PubChem CID number | 68647 SMILES identifier | CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C.Cl InChI identifier | InChI=1/C18H19N3O.ClH/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2;/h3-6, 9-10, 13H, 7-8, 11H2, 1-2H3;1H RTECS number | RJ3697600 MDL number | MFCD00132409
CAS number | 68647-73-4 PubChem CID number | 68647 SMILES identifier | CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C.Cl InChI identifier | InChI=1/C18H19N3O.ClH/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2;/h3-6, 9-10, 13H, 7-8, 11H2, 1-2H3;1H RTECS number | RJ3697600 MDL number | MFCD00132409

Safety properties

flash point | 63.89 °C
flash point | 63.89 °C