2-Phenylethyl mercaptan（CAS 4410-99-5）：分子式 C8H10S、分子量 138.05 g/mol。
| CAS号 | 4410-99-5 |
|---|---|
| 分子式 | C8H10S |
| 分子量 | 138.05 g/mol |
| 沸点 | 217.00 to 218.00 °C. @ 760.00 mm Hg |
| LogP | 2.6 |
2-Phenylethyl mercaptan 是一种化工化合物，登记 CAS 号为 4410-99-5，分子式 C8H10S（分子量 138.05 g/mol）。
登记 CAS 号：4410-99-5
其分子式 C8H10S 由 8 个碳、10 个氢、1 个硫 组成。
别名/同义词：2-Phenylethyl mercaptan · 2-Phenyl ethanethiol;β-Phenyl ethyl mercaphtan
2-Phenylethyl mercaptan 的 CAS 登记号为 4410-99-5。
分子式 C8H10S，分子量 138.05 g/mol。
别名/同义词：2-Phenylethyl mercaptan、2-Phenyl ethanethiol;β-Phenyl ethyl mercaphtan。
2-Phenylethyl mercaptan（CAS 4410-99-5）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 4410-99-5 |
|---|---|
| PubChem CID | 78126 |
| Molecular formula | C8H10S |
| Molecular weight | 138.05 g/mol |
| IUPAC name | 2-phenylethanethiol |
| InChIKey | ZMRFRBHYXOQLDK-UHFFFAOYSA-N |
| UNII (FDA) | I4TH2T2INY |
| FEMA number | 3894 |
| JECFA number | 527 |
| Molecular Weight | 138.23 |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 138.05032149 |
| Monoisotopic Mass | 138.05032149 |
| Topological Polar Surface Area | 1 |
| Heavy Atom Count | 9 |
| Boiling Point | 217.00 to 218.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 62 °C |
| Density | 1.027-1.037 |
| Refractive Index | 1.560-1.615 |
2-Phenylethanethiol; 4410-99-5; Phenethyl mercaptan; Benzeneethanethiol; Phenylethyl mercaptan; 2-phenyl-1-ethanethiol; Phenylethylthiol; UNII-I4TH2T2INY; I4TH2T2INY; 2-phenethylmercaptan; PHENETHYLTHIOL; b-Phenylethylmercaptan; Benzeneethanethiol, 9CI; NSC-2616; EINECS 224-563-9; 1-Mercapto-2-phenylethane
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Rubber No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 9.4% (11 / 117) |
| GHS notification summary | 9.4% (11 / 117) |
|---|---|
| Reported hazard statements | H302 (88.9%), H319 (69.2%) |
This chemical does not meet GHS hazard criteria for 9.4% (11 of 117) of reports.
H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]
2-Phenylethyl mercaptan is identified by CAS 4410-99-5, molecular formula C8H10S and molecular weight 138.05 g/mol. UNII I4TH2T2INY; InChIKey ZMRFRBHYXOQLDK-UHFFFAOYSA-N. Boiling Point: 217.00 to 218.00 °C. @ 760.00 mm Hg; Boiling Point: 62 °C; Density: 1.027-1.037.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 2-Phenylethyl mercaptan