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2-Butyl isothiocyanate

CAS 4426-79-3C5H9NSMW 115.05 g/mol

2-Butyl isothiocyanate (CAS 4426-79-3) — formula C5H9NS, molecular weight 115.05 g/mol.

Product Overview

CAS Number4426-79-3
Molecular FormulaC5H9NS
Molecular Weight115.05 g/mol
Boiling Point69-70 °C (27 mm Hg)
LogP2.81
Packaging25/50kg 编织袋、20/25/50kg 纸板桶、200kg 塑料桶、1000kg IBC（以订单确认为准）
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, 避光, 密封保存, 开封后尽快使用。样品 10~100g 或 100~500g, 贸易条款 FOB, CIF, CFR, 每批随附 COA, MSDS, SDS 按需。

Applications

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, 避光, 密封保存, 开封后尽快使用。样品 10~100g 或 100~500g, 贸易条款 FOB, CIF, CFR, 每批随附 COA, MSDS, SDS 按需。.

Packaging & Storage

Packaging25/50kg 编织袋、20/25/50kg 纸板桶、200kg 塑料桶、1000kg IBC（以订单确认为准）

Technical Profile

What this product is

2-Butyl isothiocyanate is a chemical compound with CAS registry number 4426-79-3 and molecular formula C5H9NS (molecular weight 115.05 g/mol).

Identification

CAS number: 4426-79-3

Its molecular formula C5H9NS comprises 5 C, 9 H, 1 N, 1 S atoms.

Also known as: 2-Butyl isothiocyanate · 异硫氰酸仲丁酯

Frequently Asked Questions

What is the CAS number of 2-Butyl isothiocyanate?

The CAS registry number of 2-Butyl isothiocyanate is 4426-79-3.

What is the molecular formula and molecular weight of 2-Butyl isothiocyanate?

Molecular formula C5H9NS, molecular weight 115.05 g/mol.

What other names is 2-Butyl isothiocyanate known by?

It is also registered under: 2-Butyl isothiocyanate, 异硫氰酸仲丁酯.

What are the documented applications of 2-Butyl isothiocyanate?

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, 避光, 密封保存, 开封后尽快使用。样品 10~100g 或 100~500g, 贸易条款 FOB, CIF, CFR, 每批随附 COA, MSDS, SDS 按需。.

PubChem Public Data

Independent reference data for 2-Butyl isothiocyanate (CAS 4426-79-3), compiled from public chemistry databases.

Registry identifiers across databases

CAS 号4426-79-3
PubChem CID78151
分子式C5H9NS
分子量115.05 g/mol
IUPAC 名称2-isothiocyanatobutane
InChIKeyTUFJIDJGIQOYFY-UHFFFAOYSA-N
UNII（FDA）126JI237AW
FEMA 编号4419
JECFA 编号1890

Computed descriptors

Molecular Weight115.20
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass115.04557046
Monoisotopic Mass115.04557046
Topological Polar Surface Area44.5
Heavy Atom Count7

Physicochemical values on record

Boiling Point69-70 °C (27 mm Hg)
Density0.938-0.946
LogP2.81
Refractive Index1.490-1.497

Synonyms and trade names

sec-Butyl isothiocyanate; 4426-79-3; 2-Isothiocyanatobutane; 2-Butyl isothiocyanate; Butane, 2-isothiocyanato-; 2-Butylisothiocyanate; Isothiocyanic acid, sec-butyl ester; 1-Methylpropyl isothiocyanate; FEMA NO. 4419; DTXSID80863392; 126JI237AW; 2-BUTYLISOTHIOCYANATE [FHFI]; EINECS 224-609-8; RefChem:468093; DTXCID90812018; (+-)-2-BUTYL ISOTHIOCYANATE

Regulatory listings held on file

法规与食品接触FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
Flavoring Agents
Green
No safety concern at current levels of intake when used as a flavouring agent
">RS 952-JECFA 69/124
">FAS 60-JECFA 69/625

GHS hazard classification

已通报的危害声明H226 (66.7%), H301 (66.7%), H314 (66.7%), H315 (33.3%), H319 (33.3%), H331 (66.7%), H335 (66.7%)

What the public record says

异硫氰酸仲丁酯 的 CAS 号为 4426-79-3，分子式 C5H9NS，分子量 115.05 g/mol。 UNII 126JI237AW; InChIKey TUFJIDJGIQOYFY-UHFFFAOYSA-N. Boiling Point: 69-70 °C (27 mm Hg); Density: 0.938-0.946; LogP: 2.81.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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Supplier: Jinan Shenghe Chemical Co., Ltd.

中文页面: 异硫氰酸仲丁酯

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