3-Butenyl isothiocyanate

Name: 3-Butenyl isothiocyanate
Brand: Jinan Shenghe Chemical Co., Ltd.

CAS 3386-97-8C5H7NSMW 113.03 g/mol

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.

Specifications

CAS Number3386-97-8

Molecular FormulaC5H7NS

Molecular Weight113.03 g/mol

Boiling Point163.00 to 164.00 °C. @ 760.00 mm Hg

LogP2.7

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)

ApplicationsFlavors

CategoryFlavors

Where it is used

Flavors

Packaging & Supply

Packaging按订单/批次确认(不公开发布)

Purity按批次COA提供(不公开发布)

StorageSealed, cool and dry place

Lead TimeIn stock / per order

Documents & Support

COA provided with every batch; MSDS and technical documents available on request. Email us with product name and CAS number for a quote within one business day.

Frequently Asked Questions

What is the CAS number of 3-Butenyl isothiocyanate?

The CAS number of 3-Butenyl isothiocyanate is 3386-97-8.

What purity and packaging are available?

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.

What are the applications of 3-Butenyl isothiocyanate?

Main applications include Flavors.

How do I buy 3-Butenyl isothiocyanate or get a quote?

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..

PubChem Public Data

描述

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.

标识信息

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

计算分子描述符

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

理化性质

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

法规状态

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

GHS 危害分类

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%)

同义词

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

常见问题

3-异硫氰酸异丁酯的 CAS 号和分子式是什么？

CAS 号 3386-97-8；分子式 C5H7NS；分子量 113.03 g/mol。

3-异硫氰酸异丁酯还有哪些别名？

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.

3-异硫氰酸异丁酯的法规状态如何？

已记录的法规收录：EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents。

3-异硫氰酸异丁酯是否属于危险品？

已通报的危害声明：H226, H301, H302, H310, H311。

3-异硫氰酸异丁酯的主要物性有哪些？

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。