Dicyclohexyl disulfide (CAS 2550-40-5) — formula C12H22S2, molecular weight 230.12 g/mol.
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..
Public-database records for Dicyclohexyl disulfide (CAS 2550-40-5), reproduced here for independent cross-checking.
| 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]
| 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) |
| 沸点 | 162.00 to 163.00 °C. @ 6.00 mm Hg |
|---|---|
| 沸点 | 162-163 °C (6 mm Hg) |
| 密度 | 1.042-1.049 |
| 蒸气压 | 0.000554 [mmHg] |
| 折射率 | 1.543-1.553 |
| CAS Registry Number | 2550-40-5 |
|---|---|
| PubChem CID | 17356 |
| 分子式 | C12H22S2 |
| 分子量 | 230.12 g/mol |
| IUPAC 名称 | (cyclohexyldisulfanyl)cyclohexane |
| InChIKey | ODHAQPXNQDBHSH-UHFFFAOYSA-N |
| UNII（FDA） | 6G1A0K504Q |
| ChEBI 编号 | CHEBI:166589 |
| FEMA 编号 | 3448 |
| JECFA 编号 | 575 |
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
| 分子量 | 230.4 |
|---|---|
| XLogP3 | 4.5 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 3 |
| 精确质量 | 230.11629305 |
| 单同位素质量 | 230.11629305 |
| 拓扑极性表面积 | 50.6 |
| 重原子数 | 14 |
| 形式电荷 | 0 |
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. 沸点: 162.00 to 163.00 °C. @ 6.00 mm Hg; 沸点: 162-163 °C (6 mm Hg); 密度: 1.042-1.049.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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