3-Butenyl isothiocyanate (CAS No. 3386-97-8) 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 Flavors. Bulk quantities are available with COA; purity and packaging are subject to batch COA and order confirmation.
| CAS Number | 3386-97-8 |
|---|---|
| Molecular Formula | C5H7NS |
| Molecular Weight | 113.03 g/mol |
| Boiling Point | 163.00 to 164.00 °C. @ 760.00 mm Hg |
| LogP | 2.7 |
| Purity | 按批次COA提供(不公开发布) |
| Packaging | 按订单/批次确认(不公开发布) |
| Applications | Flavors |
| Category | Flavors |
Flavors
COA (Certificate of Analysis) is provided with every batch. MSDS/technical data sheets and third-party test reports are available on request. Purity and packaging are subject to batch COA and order confirmation.
The CAS number of 3-Butenyl isothiocyanate is 3386-97-8.
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 Flavors.
Email info@591daili.com or reach us on WhatsApp with the product name, CAS number and required quantity; quotes within one business day. Supplier: Jinan Shenghe Chemical Co., Ltd..
3-异硫氰酸异丁酯 的 CAS 号为 3386-97-8，分子式 C5H7NS，分子量 113.03 g/mol。 UNII 13O98H1EW1; ChEBI 138747; InChIKey SKIHGKNFJKJXPX-UHFFFAOYSA-N. Boiling Point: 163.00 to 164.00 °C. @ 760.00 mm Hg; Boiling Point: 75-77 °C (14 mm Hg); Solubility: 0.46 mg/mL at 20 °C.
| CAS 号 | 3386-97-8 |
|---|---|
| PubChem CID | 76922 |
| 分子式 | C5H7NS |
| 分子量 | 113.03 g/mol |
| IUPAC 名称 | 4-isothiocyanatobut-1-ene |
| InChIKey | SKIHGKNFJKJXPX-UHFFFAOYSA-N |
| UNII（FDA） | 13O98H1EW1 |
| ChEBI 编号 | CHEBI:138747 |
| FEMA 编号 | 4418 |
| JECFA 编号 | 1889 |
| Molecular Weight | 113.18 |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 113.02992040 |
| Monoisotopic Mass | 113.02992040 |
| Topological Polar Surface Area | 44.5 |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Boiling Point | 163.00 to 164.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 75-77 °C (14 mm Hg) |
| Solubility | 0.46 mg/mL at 20 °C |
| Density | 0.990-0.996 (20 °C) |
| Refractive Index | 1.520-1.526 |
| 法规与食品接触 | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents Floral No safety concern at current levels of intake when used as a flavouring agent ">RS 952-JECFA 69/124 |
|---|
| 已通报的危害声明 | H226 (33.3%), H301 (83.3%), H302 (16.7%), H310 (33.3%), H311 (16.7%), H314 (16.7%), H315 (66.7%), H317 (16.7%) |
|---|
3-Butenyl isothiocyanate; 3386-97-8; 4-isothiocyanatobut-1-ene; 1-Butene, 4-isothiocyanato-; Isothiocyanic Acid 3-Buten-1-yl Ester; 3-Buten-1-yl Isothiocyanate; 4-Isothiocyanato-1-butene; Isothiocyanic acid, 3-butenyl ester; MFCD00191660; 3-butenylisothiocyanate; But-3-enyl isothiocyanate; CHEMBL3593942; 13O98H1EW1; UNII-13O98H1EW1; Isothiocyanic acid, 3-butenyl ester (6CI,7CI,8CI); 4-Isothiocyanato-1-butene; EINECS 222-209-8
CAS 号 3386-97-8；分子式 C5H7NS；分子量 113.03 g/mol。
3-Butenyl isothiocyanate, 3386-97-8, 4-isothiocyanatobut-1-ene, 1-Butene, 4-isothiocyanato-, Isothiocyanic Acid 3-Buten-1-yl Ester, 3-Buten-1-yl Isothiocyanate.
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：H226, H301, H302, H310, H311。
Boiling Point: 163.00 to 164.00 °C. @ 760.00 mm Hg; Boiling Point: 75-77 °C (14 mm Hg); Solubility: 0.46 mg/mL at 20 °C; Density: 0.990-0.996 (20 °C).
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。
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3-异硫氰酸异丁酯