Phenethyl Isothiocyanate (CAS 2257-09-2) — formula C9H9NS, molecular weight 163.05 g/mol; category organic chemicals.
Phenethyl Isothiocyanate (CAS 2257-09-2) is a chemical raw material in the organic chemicals category. Its molecular formula C9H9NS comprises 9 C, 9 H, 1 N, 1 S atoms. Its molecular weight is about 163.05 g/mol. Reported physicochemical data: boiling point around 139.00 to 140.00 °C. @ 11.00 mm Hg, LogP about 3.470. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 2257-09-2 |
|---|---|
| Molecular Formula | C9H9NS |
| Molecular Weight | 163.05 g/mol |
| Boiling Point | 139.00 to 140.00 °C. @ 11.00 mm Hg |
| LogP | 3.470 |
| Packaging | 25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation) |
| Applications | 典型应用领域：食品增香, 日化。规格/纯度：以批次 COA 为准。包装：25/50kg 编织袋, 20/25/50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 密封保存 |
| Category | Organic Chemicals|Flavors |
Documented applications: 典型应用领域：食品增香, 日化。规格/纯度：以批次 COA 为准。包装：25/50kg 编织袋, 20/25/50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 密封保存.
Phenethyl Isothiocyanate is a carbon-based organic compound with CAS registry number 2257-09-2 and molecular formula C9H9NS (molecular weight 163.05 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2257-09-2
Its molecular formula C9H9NS comprises 9 C, 9 H, 1 N, 1 S atoms.
Also known as: Phenethyl Isothiocyanate · 2-苯基乙基异硫代氰酸酯
Category: organic chemicals / food flavors
The CAS registry number of Phenethyl Isothiocyanate is 2257-09-2.
Molecular formula C9H9NS, molecular weight 163.05 g/mol.
It is also registered under: Phenethyl Isothiocyanate, 2-苯基乙基异硫代氰酸酯.
Recorded applications: 典型应用领域：食品增香, 日化。规格/纯度：以批次 COA 为准。包装：25/50kg 编织袋, 20/25/50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 密封保存.
Category: Organic Chemicals / Flavors.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for Phenethyl Isothiocyanate (CAS 2257-09-2), compiled from public chemistry databases.
| CAS Number | 2257-09-2 |
|---|---|
| PubChem CID | 16741 |
| Molecular Formula | C9H9NS |
| Molecular Weight | 163.05 g/mol |
| IUPAC Name | 2-isothiocyanatoethylbenzene |
| InChIKey | IZJDOKYDEWTZSO-UHFFFAOYSA-N |
| UNII (FDA) | 6U7TFK75KV |
| 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 |
| 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 |
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
| Regulatory & food contact | 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 |
|---|
| Notified hazard statements | H302, H319 (99.6%) |
|---|
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-苯基乙基异硫代氰酸酯