Limonene

Base Information

• Chemical Name: Limonene
• CAS No.: 8016-20-4
• Deprecated CAS: 555-08-8,7705-14-8,8022-90-0,8050-32-6,7705-14-8,8022-90-0,8050-32-6
• Molecular Weight: 0
• European Community (EC) Number: 205-341-0,231-732-0,642-944-1
• NSC Number: 757069,21446,844
• UN Number: 2052
• UNII: 9MC3I34447
• DSSTox Substance ID: DTXSID2029612
• Nikkaji Number: J2.532A
• Wikipedia: Limonene
• Wikidata: Q278809
• NCI Thesaurus Code: C61709
• RXCUI: 1426477
• Metabolomics Workbench ID: 123668
• ChEMBL ID: CHEMBL15799
• Mol file: 8016-20-4.mol

Synonyms:(+)-(R)-4-isopropenyl-1-methylcyclohexene;(+)-limonene;(-)-limonene;(4R)-1-methyl-4-(1-methylethenyl)cyclohexene;(4S)-1-methyl-4-isopropenylcyclohex-1-ene;(D)-limonene;(R)-(+)-limonene;(R)-4-isopropenyl-1-methylcyclohexene;1-methyl-4-(1-methylethenyl)cyclohexene;4 Mentha 1,8 diene;4-mentha-1,8-diene;AISA 5203-L (+)limonene;cyclohexene, 1-methyl-4-(1-methylethenyl)-, (4R)-;d Limonene;d-limonene;dipentene;limonene;limonene, (+)-;limonene, (+-)-;limonene, (+-)-isomer;limonene, (R)-isomer;limonene, (S)-isomer

Chemical Property of Limonene

Chemical Property:

• Refractive Index: n20/D 1.475
• Boiling Point: 171 °C
• Flash Point: 131 °F
• PSA: 0.00000
• Density: 0.85 g/mL at 25 °C
• LogP: 0.00000
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 136.125200510
• Heavy Atom Count: 10
• Complexity: 163
• Transport DOT Label: Flammable Liquid

Purity/Quality:

98%,99%, ^*data from raw suppliers

Grapefruit oil, Florida ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 26

MSDS Files:

Useful:

• Chemical Classes: Biological Agents -> Terpenes
• Canonical SMILES: CC1=CCC(CC1)C(=C)C
• Recent ClinicalTrials: Limonene for Pulmonary Nodule Chemoprevention
• Description: A tree, 9 to 15 m (30 to 50 ft.) tall, having a rounded and conical head, ovate glabrous leaves, and smooth, gray-brown bark. The flowers are large, white, and fragrant. The fruits are large, lightlemon or orange with a thin rind and grayish-yellow or pink flesh. Historically and botanically, the origin of the grapefruit is uncertain and appears to have developed from the Shaddok variety native to the West Indies. The plant is cultivated in the United States (Florida, California, Texas), East Asia, West Indies, Brazil, and Nigeria. The Citrus decumana variety yields the largest fruits (up to 10 kg). The parts used are the fruit and peel. Grapefruit has a fresh, citrus-like odor and a taste reminiscent of sweet and bitter orange to some degree.Grapefruit essential oil is the volatile oil obtained by cold expression of the fresh peels of the fruit. The oil is a yellow, sometimes reddish liquid (often showing a flocculent separation of waxy material) with a pleasant citrus-like odor and flavor.Its main constituents include limonene (90%), 2 to 3% volatile fraction containing oxygen compounds and sesquiterpenes, 7 to 8 % waxy fraction, C8 and C10 aldehydes, geraniol, cadinene, small amounts of citral and dimethyl anthranilate, and acids. A terpeneless oil can be prepared by vacuum distillation, yielding a more soluble and more stable concentrated oil. However, a certain amount of terpenes must be left in the oil to retain the characteristic freshness of citrus flavor.A lower grade of essential oil that does not have application in flavor work is also obtained by steam distillation of the crushed peels or even from seeds.The derivatives are juice and extract. Naringin, a bitter, white, crystalline glucoside, is found in the blossoms and the flavedo of the fruits. Naringin yields rhamnose and naringenin (C15H12O5) on hydrolysis. A naringin extract, prepared from the expressed peels, is used in flavors.
• Physical properties: Its color is yellow, sometimes reddish (often showing a focculent separation of waxy material) It is soluble in most fxed oils, often with opalescence or cloudiness It is slightly soluble in propylene glycol and insoluble in glycerin It may contain.
• Uses: grapefruit oil is used as a fragrance and also as an active component with anti-irritant properties. grapefruit oil is indicated for work with the lymphatic system.