CID 6850743

Base Information

• Chemical Name: CID 6850743
• CAS No.: 8007-02-1
• Molecular Formula: W99
• Molecular Weight: 0
• European Community (EC) Number: 616-903-3
• Mol file: 8007-02-1.mol

Synonyms:1,2-dimethoxy-4-prop-2-enylbenzene;(2Z)-3,7-dimethylocta-2,6-dienal;3,7-dimethylocta-1,6-diene;(2Z)-3,7-dimethylocta-2,6-dien-1-ol;(1S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol;8007-02-1

Chemical Property of CID 6850743

Chemical Property:

• Refractive Index: n20/D 2.487(lit.)
• Boiling Point: 224 °C(lit.)
• Flash Point: 160 °F
• PSA: 0.00000
• Density: 0.896 g/mL at 25 °C
• LogP: 0.00000
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 16
• Exact Mass: 776.63187578
• Heavy Atom Count: 56
• Complexity: 779

Purity/Quality:

99% ^*data from raw suppliers

Lemongrass oil, East Indian natural, FG ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 38-36/37/38
• Safety Statements: 26-36

MSDS Files:

Useful:

• Chemical Classes: UVCB
• Canonical SMILES: CC(CCC=C(C)C)C=C.CC(=CCCC(=CCO)C)C.CC(=CCCC(=CC=O)C)C.CC1(C2CCC1(C(C2)O)C)C.COC1=C(C=C(C=C1)CC=C)OC
• Isomeric SMILES: CC(CCC=C(C)C)C=C.CC(=CCC/C(=C\CO)/C)C.CC(=CCC/C(=C\C=O)/C)C.C[C@]12CC[C@H](C1(C)C)CC2O.COC1=C(C=C(C=C1)CC=C)OC
• Description: Herbaceous grasses that grow wild in several tropical and subtrop ical regions. The East Indian variety is grown in eastern India, Cambodia, Singapore, and Ceylon. The West Indian type is grown in Madagascar, the Comoro Islands, Guatemala, Honduras, Brazil, Haiti, and Puerto Rico. The East Indian variety yields an alcohol soluble oil (1:2 in 70% alcohol); West Indian lemongrass is soluble 1:10 in 90% alcohol with haze. The part used is the herbaceous portion. Lemongrass has a strong, pungent, lemon-like odor.The essential oil is obtained by steam distillation of freshly cut (East Indian variety) or partially dried (West Indian variety) grass in approximately 0.2 to 0.3% and 0.31 to 0.37% yields, respec tively.East Indian Lemongrass Oil: East Indian lemongrass oil is a pale-yellow to brown-yellowish liquid; it has a characteristic, sharp, pungent, lemon-like odor because of the large amount of citral present (80 to 85%).In addition to citral, the main constituents of the East Indian oil include citronellal, geraniol, nerol, famesol, dipentene, methylhep tenone, and probably limonene.West Indian Lemongrass Oil: West Indian lemongrass oil is a pale-yellow to brownish liquid with a pronounced citral odor. Its physical-chemical constants are as follows.Its main constituents include isovaleric aldehyde, furfural, myrcene, dipentene, methylheptenone, aldehyde C10, citronellal, various esters, linalool, geraniol, nerol, and terpenes.Constituents include: andrographolide; andrographidin A; andro graphidin B; andrographidin C; andrographidin D; andrographidin E; andrographidin F; andrographin; andrographinin; andrographi side; andropanoside; apigenin-4,7-di-o-methyl ether; gamma-bis abolene; caffeic acid; carvacrol; chlorogenic acid; deoxyandro graphiside; dicaffeoyl quinic acid; 5-dihydroxy-7,8-dimethoxy flavone; eugenol; 2-cis-6-trans-famesol; 2-trans-6-trans-farnesol; 5-hydroxy-7,8-dimethoxyflavone; 5-hydroxy-2,3,7,8-tetrameth oxyflavone; myristic acid; oroxyline A; panicolin; paniculide B; and sitosterol-α-1.
• Uses: lemongrass oil (Cymbopogon citratus) is considered astringent and tonic, it has also exhibited anti-fungal properties. It is widely used in the perfume and soap industries. Lemongrass oil is the volatile oil distilled from the leaves of the lemon grasses. Lemongrass oil can be used as a flavoring agent in the food, perfume, and cosmetic industries.