Methyl benzyl disulfide (CAS 699-10-5) — formula C8H10S2, molecular weight 170.02 g/mol.
Methyl benzyl disulfide is a chemical compound with CAS registry number 699-10-5 and molecular formula C8H10S2 (molecular weight 170.02 g/mol).
CAS number: 699-10-5
Its molecular formula C8H10S2 comprises 8 C, 10 H, 2 S atoms.
Also known as: Methyl benzyl disulfide · benzyl methyl disulphide · Benzyl Methyl Disulfide
The CAS registry number of Methyl benzyl disulfide is 699-10-5.
Molecular formula C8H10S2, molecular weight 170.02 g/mol.
It is also registered under: Methyl benzyl disulfide, benzyl methyl disulphide, Benzyl Methyl Disulfide.
Public-database records for Methyl benzyl disulfide (CAS 699-10-5), reproduced here for independent cross-checking.
| Reported hazard statements | H302 (100%), H315 (72.8%), H319 (72.8%), H335 (72.8%) |
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H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (72.8%): 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 |
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| 沸点 | 195.00 to 197.00 °C. @ 760.00 mm Hg |
|---|---|
| 沸点 | 82-86 °C (0.8 mm Hg) |
| 熔点 | 61.00 to 62.00 °C. @ 760.00 mm Hg |
| 密度 | 0.840 (d20/4) |
| CAS Registry Number | 699-10-5 |
|---|---|
| PubChem CID | 12779 |
| 分子式 | C8H10S2 |
| 分子量 | 170.02 g/mol |
| IUPAC 名称 | (methyldisulfanyl)methylbenzene |
| InChIKey | NWYGPVZOBBHKLI-UHFFFAOYSA-N |
| UNII（FDA） | Q451CNJ59W |
| ChEBI 编号 | CHEBI:173775 |
| FEMA 编号 | 3504 |
| JECFA 编号 | 577 |
Benzyl methyl disulfide; Methyl benzyl disulfide; Disulfide, methyl phenylmethyl; Benzyldithiomethane; [(Methyldisulfanyl)methyl]benzene; Benzyl methyl disulphide; DISULFIDE, BENZYL METHYL; Methyl phenylmethyl disulfide; FEMA No. 3504; EINECS 211-826-8; UNII-Q451CNJ59W; NSC 677547; BRN 2079563; Q451CNJ59W; NSC-677547; METHYL BENZYL DISULPHIDE
| 分子量 | 170.3 |
|---|---|
| XLogP3 | 2.4 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 3 |
| 精确质量 | 170.02239267 |
| 单同位素质量 | 170.02239267 |
| 拓扑极性表面积 | 50.6 |
| 重原子数 | 10 |
| 形式电荷 | 0 |
Methyl benzyl disulfide is identified by CAS 699-10-5, molecular formula C8H10S2 and molecular weight 170.02 g/mol. UNII Q451CNJ59W; ChEBI 173775; InChIKey NWYGPVZOBBHKLI-UHFFFAOYSA-N. 沸点: 195.00 to 197.00 °C. @ 760.00 mm Hg; 沸点: 82-86 °C (0.8 mm Hg); 熔点: 61.00 to 62.00 °C. @ 760.00 mm Hg.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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