Phenethyl Isothiocyanate (CAS No. 2257-09-2) is supplied by Jinan Shenghe Chemical Co., Ltd. with a typical purity of 按批次COA提供(不公开发布). Main applications include Organic Chemicals；Flavors. Bulk quantities are available with COA; purity and packaging are subject to batch COA and order confirmation.
Organic Chemicals；Flavors
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The CAS number of Phenethyl Isothiocyanate is 2257-09-2.
Typical purity is 按批次COA提供(不公开发布), supplied in 按订单/批次确认(不公开发布), with COA provided.
Main applications include Organic Chemicals；Flavors.
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2-苯基乙基异硫代氰酸酯 的 CAS 号为 2257-09-2，分子式 C9H9NS，分子量 163.05 g/mol。 UNII 6U7TFK75KV; ChEBI 351346; InChIKey IZJDOKYDEWTZSO-UHFFFAOYSA-N. Boiling Point: 139.00 to 140.00 °C. @ 11.00 mm Hg; Boiling Point: 139-140 °C; Solubility: 110 mg/L @ 20 °C (exp).
| CAS 号 | 2257-09-2 |
|---|---|
| PubChem CID | 16741 |
| 分子式 | C9H9NS |
| 分子量 | 163.05 g/mol |
| IUPAC 名称 | 2-isothiocyanatoethylbenzene |
| InChIKey | IZJDOKYDEWTZSO-UHFFFAOYSA-N |
| UNII（FDA） | 6U7TFK75KV |
| ChEBI 编号 | CHEBI:351346 |
| FEMA 编号 | 4014 |
| JECFA 编号 | 1563 |
| Molecular Weight | 163.24 |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 163.04557046 |
| Monoisotopic Mass | 163.04557046 |
| Topological Polar Surface Area | 44.5 |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Boiling Point | 139.00 to 140.00 °C. @ 11.00 mm Hg |
|---|---|
| Boiling Point | 139-140 °C |
| Solubility | 110 mg/L @ 20 °C (exp) |
| Density | 1.087-1.097 |
| Vapor Pressure | 0.01 [mmHg] |
| LogP | 3.470 |
| LogP | 3.47 |
| Refractive Index | 1.586-1.590 |
| 法规与食品接触 | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Green No safety concern at current levels of intake when used as a flavouring agent |
|---|
| 已通报的危害声明 | H302, H319 (99.6%) |
|---|
Phenethyl isothiocyanate; 2-Phenylethyl isothiocyanate; 2257-09-2; Phenylethyl isothiocyanate; (2-Isothiocyanatoethyl)benzene; 2-isothiocyanatoethylbenzene; Benzene, (2-isothiocyanatoethyl)-; PEITC; Phenylaethylsenfoel; PHENETHYLISOTHIOCYANATE; beta-Phenylethyl isothiocyanate; ISOTHIOCYANIC ACID, PHENETHYL ESTER; DTXSID5021120; 6U7TFK75KV; CHEBI:351346; NSC-87868
CAS 号 2257-09-2；分子式 C9H9NS；分子量 163.05 g/mol。
Phenethyl isothiocyanate, 2-Phenylethyl isothiocyanate, 2257-09-2, Phenylethyl isothiocyanate, (2-Isothiocyanatoethyl)benzene, 2-isothiocyanatoethylbenzene.
已记录的法规收录：EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents。
已通报的危害声明：H302, H319。
Boiling Point: 139.00 to 140.00 °C. @ 11.00 mm Hg; Boiling Point: 139-140 °C; Solubility: 110 mg/L @ 20 °C (exp); Density: 1.087-1.097.
本页事实取自 PubChem（美国国家医学图书馆）与 Wikidata。批号相关的数据——含量、水分、粒度、包装、保质期——随批次 COA 出具，不在本页公布。
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