异硫氰酸异丁酯

Name: 异硫氰酸异丁酯
Brand: 济南圣和化工有限公司

CAS 591-82-2C5H9NSMW 115.20主营产品

济南圣和化工主营供应异硫氰酸异丁酯（CAS 591-82-2），归类于主营产品，分子式 C5H9NS，分子量 115.20。我们面向国内化工贸易与生产企业提供稳定的现货供应，报价响应快，支持对公转账并可开具增值税发票。

产品概览

CAS号	591-82-2
分子式	C5H9NS
分子量	115.20
沸点	72-73 °C (30 mm Hg)
LogP	2.82
纯度	按批次COA提供(不公开发布)
包装	按订单/批次确认(不公开发布)
应用领域	食用香精
类别	主营产品\|食用香精

应用领域

食用香精

该产品的下游应用集中在食用香精。不同客户工艺差异较大，我们支持按需提供样品与小批量试用。

包装与储存

包装规格按订单/批次确认(不公开发布)

纯度规格按批次COA提供(不公开发布)

储存条件密封、阴凉干燥处保存

运输常规化工运输

样品可协商提供

交期现货/按订单安排

供货能力：异硫氰酸异丁酯备有现货，包装形式为按订单/批次确认(不公开发布)。我们支持对公转账并开具增值税发票，山东省内可安排快速配送，省外按物流时效发货，具体请联系 info@591daili.com。

质量与文件

每批产品随货提供 COA（分析证书）；可按需提供 MSDS/技术数据表及第三方检测报告。纯度与包装以批次 COA 及订单确认为准。

关于供应商

作为化工原料供应服务商，济南圣和化工有限公司长期服务于化工贸易、食品添加、医药中间体、日化原料等行业的采购需求。除异硫氰酸异丁酯外，您还可以在站内按 CAS 号或产品分类检索更多品类，获取规格与报价。

常见问题

异硫氰酸异丁酯的 CAS 号是多少？

异硫氰酸异丁酯的 CAS 号为 591-82-2。

该产品的纯度和包装规格是什么？

常规纯度规格为按批次COA提供(不公开发布)，包装为按订单/批次确认(不公开发布)，随货提供 COA。

异硫氰酸异丁酯有什么用途？

主要应用于食用香精。

如何购买或获取报价？

请发送邮件至 info@591daili.com 或通过 WhatsApp 联系，注明产品名称、CAS 号与需求数量，一个工作日内回复报价。供应商：济南圣和化工有限公司。

PubChem 公开数据

Description

Isobutyl isothiocyanate is identified by CAS 591-82-2, molecular formula C5H9NS and molecular weight 115.05 g/mol. UNII A498ZC6Z4F; InChIKey NSDDRJXKROCWRZ-UHFFFAOYSA-N. Boiling Point: 72-73 °C (30 mm Hg); Density: 0.935-0.945; LogP: 2.82.

Identification

CAS Registry Number	591-82-2
PubChem CID	68960
Molecular formula	C5H9NS
Molecular weight	115.05 g/mol
IUPAC name	1-isothiocyanato-2-methylpropane
InChIKey	NSDDRJXKROCWRZ-UHFFFAOYSA-N
UNII (FDA)	A498ZC6Z4F
FEMA number	4424
JECFA number	1886

Computed Descriptors

Molecular Weight	115.20
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	115.04557046
Monoisotopic Mass	115.04557046
Topological Polar Surface Area	44.5
Heavy Atom Count	7
Formal Charge	0

Physical & Chemical Properties

Boiling Point	72-73 °C (30 mm Hg)
Density	0.935-0.945
LogP	2.82
Refractive Index	1.491-1.499

Physical description & handling notes

Colourless to yellow liquid; Green pungent aroma
Very slightly soluble in water; freely soluble in ether
Soluble (in ethanol)

Regulatory Status

Regulatory & Food Contact	FDA Substance added to food: FLAVORING AGENT OR ADJUVANT FLAVOURING_AGENT: Flavouring Agent Flavoring Agents Green No safety concern at current levels of intake when used as a flavouring agent ">RS 952-JECFA 69/123

GHS Hazard Classification

Reported hazard statements	H226 (88.9%), H301 (11.1%), H302 (77.8%), H312 (66.7%), H314 (66.7%), H315 (33.3%), H318 (11.1%), H319 (33.3%)

H226 (88.9%): Flammable liquid and vapor [Warning Flammable liquids]

H301 (11.1%): Toxic if swallowed [Danger Acute toxicity, oral]

Documented Uses

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index

Synonyms

Isobutyl isothiocyanate; 1-Isothiocyanato-2-methylpropane; i-Butyl isothiocyanate; 2-Methylpropyl isothiocyanate; Isothiocyanic acid, isobutyl ester; Propane, 1-isothiocyanato-2-methyl-; UNII-A498ZC6Z4F; EINECS 209-733-2; A498ZC6Z4F; BRN 1740371; 4-04-00-00653 (Beilstein Handbook Reference); NSDDRJXKROCWRZ-UHFFFAOYSA-; DTXSID10207846; ISOBUTYL ISOTHIOCYANATE [FHFI]; 2-METHYL-1-PROPYL ISOTHIOCYANATE; RefChem:149088

Frequently Asked Questions

What are the CAS number and molecular formula of Isobutyl isothiocyanate?

CAS 591-82-2; molecular formula C5H9NS; molecular weight 115.05 g/mol.

What other names is Isobutyl isothiocyanate known by?

Isobutyl isothiocyanate, 1-Isothiocyanato-2-methylpropane, i-Butyl isothiocyanate, 2-Methylpropyl isothiocyanate, Isothiocyanic acid, isobutyl ester, Propane, 1-isothiocyanato-2-methyl-.

What is the regulatory status of Isobutyl isothiocyanate?

Documented regulatory listings: FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; FLAVOURING_AGENT: Flavouring Agent; Flavoring Agents.

Is Isobutyl isothiocyanate classified as hazardous?

Hazard statements reported: H226, H301, H302, H312, H314.

What are the key physical properties of Isobutyl isothiocyanate?

Boiling Point: 72-73 °C (30 mm Hg); Density: 0.935-0.945; LogP: 2.82; Refractive Index: 1.491-1.499.

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.