2-Phenylethyl mercaptan，CAS 登记号 4410-99-5，由济南圣和化工有限公司现货供应，可提供纯度 按批次COA提供(不公开发布) 的规格，下游主要用于Flavors。支持样品与小批量试用，批量价格请联系我们获取，验收以批次 COA 为准。
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本页已列出 2-Phenylethyl mercaptan 的 CAS 号：4410-99-5，可与随货 COA 核对。
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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.
| 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 |
| Formal Charge | 0 |
| 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 |
| 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-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
CAS 4410-99-5; molecular formula C8H10S; molecular weight 138.05 g/mol.
2-Phenylethanethiol, 4410-99-5, Phenethyl mercaptan, Benzeneethanethiol, Phenylethyl mercaptan, 2-phenyl-1-ethanethiol.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
9.4% of GHS notifications report no hazard classification (11 of 117).
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.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.