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4-Methylbenzyl isothiocyanate

Also known as: 1-(isothiocyanatomethyl)-4-methylbenzene, p-Methylbenzyl isothiocyanate, Isothiocyanic acid, p-methylbenzyl ester, NSC 221231, Benzene, 1-(isothiocyanatomethyl)-4-methyl-

4-Methylbenzyl isothiocyanate (CAS 3694-46-0) is a compound in the Organic Acids category listed in the Jingsj chemical database. It has the molecular formula C9H9NS and a molecular weight of 163.23900 g/mol. Key properties include a boiling point of 97 °C, a density of 1.08 and a flash point of 97°C/1mm. No supplier offers are currently listed; request a quote. Record last updated Aug 21, 2026.

CAS No.
3694-46-0
Jingsj CID
J-20723-8
Molecular Formula
C9H9NS
Molecular Weight
163.23900 g/mol
Category
Organic Acids
Last updated
8/21/2026
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Physicochemical Properties

Boiling Point97 °C
Density1.08
Flash Point97°C/1mm
Exact Mass163.04600
PSA44.45000
LogP2.59780
Refractive Index1.5890

Customs & Trade Information

HS Code2930909090
Summary2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Frequently Asked Questions

What is the CAS number of 4-Methylbenzyl isothiocyanate?

The CAS number of 4-Methylbenzyl isothiocyanate is 3694-46-0.

What are the molecular formula and molecular weight of 4-Methylbenzyl isothiocyanate?

4-Methylbenzyl isothiocyanate has molecular formula C9H9NS and molecular weight 163.23900 g/mol.

What are the upstream and downstream products of 4-Methylbenzyl isothiocyanate?

For 4-Methylbenzyl isothiocyanate, Upstream Products: Carbon disulphide, 4-Methylbenzylamine, 4-Methylbenzyl bromide; Downstream Products: 1-(4-Methylbenzyl)-2-thiourea, (4-methylphenyl)methyl thiocyanate.

Data compiled from public chemical databases such as PubChem and supplier catalogs; supplier offers are provided by suppliers.

Last updated:

How to cite: Jingsj. "4-Methylbenzyl isothiocyanate (CAS 3694-46-0)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-20723-8 (accessed 2026-11-09).

Data for reference only; verify product details with suppliers before purchase.