十二(烷)酸苄酯苯基酯，CAS 登记号 622-78-6，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，下游主要用于食用香精。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 十二(烷)酸苄酯苯基酯 的 CAS 号：622-78-6，可与随货 COA 核对。
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Benzyl isothiocyanate is identified by CAS 622-78-6, molecular formula C8H7NS and molecular weight 149.03 g/mol. UNII 871J6YOR8Q; ChEBI 17484; InChIKey MDKCFLQDBWCQCV-UHFFFAOYSA-N. Boiling Point: 242.00 to 243.00 °C. @ 760.00 mm Hg; Boiling Point: 243 °C; Melting Point: 41 °C.
| CAS Registry Number | 622-78-6 |
|---|---|
| PubChem CID | 2346 |
| Molecular formula | C8H7NS |
| Molecular weight | 149.03 g/mol |
| IUPAC name | isothiocyanatomethylbenzene |
| InChIKey | MDKCFLQDBWCQCV-UHFFFAOYSA-N |
| UNII (FDA) | 871J6YOR8Q |
| ChEBI ID | CHEBI:17484 |
| FEMA number | 4428 |
| JECFA number | 1562 |
| Molecular Weight | 149.21 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 149.02992040 |
| Monoisotopic Mass | 149.02992040 |
| Topological Polar Surface Area | 44.5 |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Boiling Point | 242.00 to 243.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 243 °C |
| Melting Point | 41 °C |
| Solubility | 0.109 mg/mL at 25 °C |
| Density | 1.121-1.127 |
| LogP | 3.16 |
| Refractive Index | 1.600-1.606 |
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent ">TRS 934-JECFA 65/64 |
|---|
| Reported hazard statements | H319 (99.7%), H335 (99.6%) |
|---|
H319 (99.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (99.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
benzyl isothiocyanate; 622-78-6; Benzylisothiocyanate; (Isothiocyanatomethyl)benzene; Benzylsenfoel; Tromacaps; Tromalyt; Urogran; Benzene, (isothiocyanatomethyl)-; Isothiocyanic acid, benzyl ester; isothiocyanatomethylbenzene; BITC; DTXSID0020155; phenylmethyl isothiocyanate; PMITC cpd; 871J6YOR8Q
CAS 622-78-6; molecular formula C8H7NS; molecular weight 149.03 g/mol.
benzyl isothiocyanate, 622-78-6, Benzylisothiocyanate, (Isothiocyanatomethyl)benzene, Benzylsenfoel, Tromacaps.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
Hazard statements reported: H319, H335.
Boiling Point: 242.00 to 243.00 °C. @ 760.00 mm Hg; Boiling Point: 243 °C; Melting Point: 41 °C; Solubility: 0.109 mg/mL at 25 °C.
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.