甲基苄基二硫醚（CAS 699-10-5）：分子式 C8H10S2、分子量 170.3。
| CAS号 | 699-10-5 |
|---|---|
| 分子式 | C8H10S2 |
| 分子量 | 170.3 |
| 熔点 | 61.00 to 62.00 °C. @ 760.00 mm Hg |
| 沸点 | 195.00 to 197.00 °C. @ 760.00 mm Hg |
| LogP | 2.4 |
| 应用领域 | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Disulfide、methyl phenylmethyl: INACTIVE |
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Disulfide、methyl phenylmethyl: INACTIVE。
甲基苄基二硫醚 是一种化工化合物，登记 CAS 号为 699-10-5，分子式 C8H10S2（分子量 170.3）。
登记 CAS 号：699-10-5
其分子式 C8H10S2 由 8 个碳、10 个氢、2 个硫 组成。
别名/同义词：甲基苄基二硫醚 · benzyl methyl disulphide · Benzyl Methyl Disulfide · Methyl benzyl disulfide
甲基苄基二硫醚 的 CAS 登记号为 699-10-5。
分子式 C8H10S2，分子量 170.3。
别名/同义词：甲基苄基二硫醚、benzyl methyl disulphide、Benzyl Methyl Disulfide、Methyl benzyl disulfide。
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Disulfide、methyl phenylmethyl: INACTIVE。
甲基苄基二硫醚（CAS 699-10-5）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 699-10-5 |
|---|---|
| PubChem CID | 12779 |
| Molecular formula | C8H10S2 |
| Molecular weight | 170.02 g/mol |
| IUPAC name | (methyldisulfanyl)methylbenzene |
| InChIKey | NWYGPVZOBBHKLI-UHFFFAOYSA-N |
| UNII (FDA) | Q451CNJ59W |
| ChEBI ID | CHEBI:173775 |
| FEMA number | 3504 |
| JECFA number | 577 |
| Molecular Weight | 170.3 |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 170.02239267 |
| Monoisotopic Mass | 170.02239267 |
| Topological Polar Surface Area | 50.6 |
| Heavy Atom Count | 10 |
| Boiling Point | 195.00 to 197.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 82-86 °C (0.8 mm Hg) |
| Melting Point | 61.00 to 62.00 °C. @ 760.00 mm Hg |
| Density | 0.840 (d20/4) |
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
| 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 |
|---|
| Reported hazard statements | H302 (100%), H315 (72.8%), H319 (72.8%), H335 (72.8%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (72.8%): Causes skin irritation [Warning Skin corrosion/irritation]
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. Boiling Point: 195.00 to 197.00 °C. @ 760.00 mm Hg; Boiling Point: 82-86 °C (0.8 mm Hg); Melting Point: 61.00 to 62.00 °C. @ 760.00 mm Hg.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: benzyl methyl disulphide