苯硫醚（CAS 100-68-5）：分子式 C7H8S、分子量 124.21。
| CAS号 | 100-68-5 |
|---|---|
| 分子式 | C7H8S |
| 分子量 | 124.21 |
| 熔点 | -15 °C |
| 沸点 | 188.00 to 193.00 °C. @ 760.00 mm Hg |
| LogP | 2.74 |
| 应用领域 | Uses: Used as flavoring agent or adjuvant、[FDA]、Use Classification: Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Benzene、(methylthio)-: ACTIVE |
登记用途：Uses: Used as flavoring agent or adjuvant、[FDA]、Use Classification: Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Benzene、(methylthio)-: ACTIVE。
苯硫醚 是一种化工化合物，登记 CAS 号为 100-68-5，分子式 C7H8S（分子量 124.21）。
登记 CAS 号：100-68-5
其分子式 C7H8S 由 7 个碳、8 个氢、1 个硫 组成。
别名/同义词：苯硫醚 · Thioanisole
苯硫醚 的 CAS 登记号为 100-68-5。
分子式 C7H8S，分子量 124.21。
别名/同义词：苯硫醚、Thioanisole。
登记用途：Uses: Used as flavoring agent or adjuvant、[FDA]、Use Classification: Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Benzene、(methylthio)-: ACTIVE。
苯硫醚（CAS 100-68-5）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 100-68-5 |
|---|---|
| PubChem CID | 7520 |
| Molecular formula | C7H8S |
| IUPAC name | methylsulfanylbenzene |
| UNII (FDA) | BB4K737YF4 |
| FEMA number | 3873 |
| JECFA number | 459 |
| Molecular Weight | 124.21 |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 124.03467143 |
| Monoisotopic Mass | 124.03467143 |
| Topological Polar Surface Area | 25.3 |
| Heavy Atom Count | 8 |
| Boiling Point | 188.00 to 193.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 188-193 °C |
| Melting Point | -15 °C |
| Solubility | 0.506 mg/mL at 25 °C |
| Density | 0.958-0.968 |
| LogP | 2.74 |
| LogP | 2.6 |
| Refractive Index | 1.532-1.551 |
Thioanisole; 100-68-5; Methyl phenyl sulfide; Thioanisol; (Methylthio)benzene; Benzene, (methylthio)-; (Methylsulfanyl)benzene; METHYLPHENYLSULFIDE; Phenylthiomethane; Phenyl methyl sulfide; (1-Thiaethyl)benzene; Methyl phenyl sulphide; Methylthiobenzene; Methyl phenylsulfide; BB4K737YF4; Sulfide, methyl phenyl (6CI,8CI)
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H302 (98.8%), H315 (89.5%), H317 (66.1%), H319 (89.5%), H335 (22.8%), H411 (66.1%), H226 |
|---|
H302 (98.8%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (89.5%): Causes skin irritation [Warning Skin corrosion/irritation]
Thioanisole · CAS 100-68-5 · C7H8S. UNII BB4K737YF4. Boiling Point: 188.00 to 193.00 °C. @ 760.00 mm Hg; Boiling Point: 188-193 °C; Melting Point: -15 °C.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Thioanisole