Dicyclohexyl disulfide (CAS 2550-40-5) — formula C12H22S2, molecular weight 230.12 g/mol.
| CAS Number | 2550-40-5 |
|---|---|
| Molecular Formula | C12H22S2 |
| Molecular Weight | 230.12 g/mol |
| Boiling Point | 162.00 to 163.00 °C. @ 6.00 mm Hg |
| LogP | 4.5 |
| Applications | Uses: Used as synthetic flavor ingredient, [HSDB], SYNTHETIC FLAVOR INGREDIENT, CHEM INT FOR N-(CYCLOHEXYLTHIO)PHTHALIMIDE (POSSIBLE USE), Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Methods of Manufacturing: PROBABLY BY OXIDATION OF CYCLOHEXYLMERCAPTAN WITH IODINE OR HYDROGEN PEROXIDE., U.S. Production: (1979) NOT PRODUCED COMMERCIALLY IN U.S., (1981) NOT PRODUCED COMMERCIALLY IN U.S., General Manufacturing Information: Disulfide, dicyclohexyl: ACTIVE, The flavor of food, pharmaceuticals, and chewing gum may be enhanced by adding a mixture of 1-butoxy-1-ethanol acetate and 2-phenyl-3-carboethoxyfuran and optionally bis(cyclohexyl) disulfide. ..., The grape flavor of reconstituted grape juice or of grape flavoring materials is intensified and made more mellow by incorporating 0.2 ppb to 1000 ppm bis(cyclohexyl) disulfide., 2-Phenyl-3-carbethoxyfuran (I) and, or bis(cyclohexyl) disulfide (II) when added to food, perfume, or tobacco, enhance and otherwise agreeably modify their natural and, or artificial aroma and flavor. For example, addition of 1.5 parts of I and 0.09 parts of II to an artificial grape flavor improved its aroma and taste when evaluated in a sweetened and acidified tasting solution. |
Documented applications: Uses: Used as synthetic flavor ingredient, [HSDB], SYNTHETIC FLAVOR INGREDIENT, CHEM INT FOR N-(CYCLOHEXYLTHIO)PHTHALIMIDE (POSSIBLE USE), Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Methods of Manufacturing: PROBABLY BY OXIDATION OF CYCLOHEXYLMERCAPTAN WITH IODINE OR HYDROGEN PEROXIDE., U.S. Production: (1979) NOT PRODUCED COMMERCIALLY IN U.S., (1981) NOT PRODUCED COMMERCIALLY IN U.S., General Manufacturing Information: Disulfide, dicyclohexyl: ACTIVE, The flavor of food, pharmaceuticals, and chewing gum may be enhanced by adding a mixture of 1-butoxy-1-ethanol acetate and 2-phenyl-3-carboethoxyfuran and optionally bis(cyclohexyl) disulfide. ..., The grape flavor of reconstituted grape juice or of grape flavoring materials is intensified and made more mellow by incorporating 0.2 ppb to 1000 ppm bis(cyclohexyl) disulfide., 2-Phenyl-3-carbethoxyfuran (I) and, or bis(cyclohexyl) disulfide (II) when added to food, perfume, or tobacco, enhance and otherwise agreeably modify their natural and, or artificial aroma and flavor. For example, addition of 1.5 parts of I and 0.09 parts of II to an artificial grape flavor improved its aroma and taste when evaluated in a sweetened and acidified tasting solution..
Dicyclohexyl disulfide is a chemical compound with CAS registry number 2550-40-5 and molecular formula C12H22S2 (molecular weight 230.12 g/mol).
CAS number: 2550-40-5
Its molecular formula C12H22S2 comprises 12 C, 22 H, 2 S atoms.
Also known as: Dicyclohexyl disulfide · Dicyclohexyldisulfide
The CAS registry number of Dicyclohexyl disulfide is 2550-40-5.
Molecular formula C12H22S2, molecular weight 230.12 g/mol.
It is also registered under: Dicyclohexyl disulfide, Dicyclohexyldisulfide.
Recorded applications: Uses: Used as synthetic flavor ingredient, [HSDB], SYNTHETIC FLAVOR INGREDIENT, CHEM INT FOR N-(CYCLOHEXYLTHIO)PHTHALIMIDE (POSSIBLE USE), Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Methods of Manufacturing: PROBABLY BY OXIDATION OF CYCLOHEXYLMERCAPTAN WITH IODINE OR HYDROGEN PEROXIDE., U.S. Production: (1979) NOT PRODUCED COMMERCIALLY IN U.S., (1981) NOT PRODUCED COMMERCIALLY IN U.S., General Manufacturing Information: Disulfide, dicyclohexyl: ACTIVE, The flavor of food, pharmaceuticals, and chewing gum may be enhanced by adding a mixture of 1-butoxy-1-ethanol acetate and 2-phenyl-3-carboethoxyfuran and optionally bis(cyclohexyl) disulfide. ..., The grape flavor of reconstituted grape juice or of grape flavoring materials is intensified and made more mellow by incorporating 0.2 ppb to 1000 ppm bis(cyclohexyl) disulfide., 2-Phenyl-3-carbethoxyfuran (I) and, or bis(cyclohexyl) disulfide (II) when added to food, perfume, or tobacco, enhance and otherwise agreeably modify their natural and, or artificial aroma and flavor. For example, addition of 1.5 parts of I and 0.09 parts of II to an artificial grape flavor improved its aroma and taste when evaluated in a sweetened and acidified tasting solution..
Independent reference data for Dicyclohexyl disulfide (CAS 2550-40-5), compiled from public chemistry databases.
| CAS Registry Number | 2550-40-5 |
|---|---|
| PubChem CID | 17356 |
| Molecular formula | C12H22S2 |
| Molecular weight | 230.12 g/mol |
| IUPAC name | (cyclohexyldisulfanyl)cyclohexane |
| InChIKey | ODHAQPXNQDBHSH-UHFFFAOYSA-N |
| UNII (FDA) | 6G1A0K504Q |
| ChEBI ID | CHEBI:166589 |
| FEMA number | 3448 |
| JECFA number | 575 |
| Molecular Weight | 230.4 |
|---|---|
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 230.11629305 |
| Monoisotopic Mass | 230.11629305 |
| Topological Polar Surface Area | 50.6 |
| Heavy Atom Count | 14 |
| Boiling Point | 162.00 to 163.00 °C. @ 6.00 mm Hg |
|---|---|
| Boiling Point | 162-163 °C (6 mm Hg) |
| Density | 1.042-1.049 |
| Vapor Pressure | 0.000554 [mmHg] |
| Refractive Index | 1.543-1.553 |
DICYCLOHEXYL DISULFIDE; Cyclohexyl disulfide; Disulfide, dicyclohexyl; (Cyclohexyldisulfanyl)cyclohexane; Dicyclohexyl disulphide; Bis(cyclohexyl)disulfide; Bis(cyclohexyl) disulfide; FEMA No. 3448; Dicyclohexyldisulphide; DTXSID4047628; HSDB 5886; EINECS 219-851-6; UNII-6G1A0K504Q; 6G1A0K504Q; Cyclohexyl disulfide (6CI,7CI,8CI); DTXCID2027628
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 0.8% (1 / 130) |
| GHS notification summary | 0.8% (1 / 130) |
|---|---|
| Reported hazard statements | H315 (99.2%), H319 (99.2%), H335 (99.2%) |
This chemical does not meet GHS hazard criteria for 0.8% (1 of 130) of reports.
H315 (99.2%): Causes skin irritation [Warning Skin corrosion/irritation]
Dicyclohexyl disulfide is identified by CAS 2550-40-5, molecular formula C12H22S2 and molecular weight 230.12 g/mol. UNII 6G1A0K504Q; ChEBI 166589; InChIKey ODHAQPXNQDBHSH-UHFFFAOYSA-N. Boiling Point: 162.00 to 163.00 °C. @ 6.00 mm Hg; Boiling Point: 162-163 °C (6 mm Hg); Density: 1.042-1.049.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
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