tert-Octyl isothiocyanate

异硫氰酸叔辛酯

Also known as: 2-Isothiocyanato-2,4,4-trimethylpentane, 1,1,3,3-Tetramethylbutyl isothiocyanate, 2-isothiocyanato-2,4,4-trimethylpentane, Pentane,2-isothiocyanato-2,4,4-trimethyl, EINECS 241-710-2, MFCD00004817

tert-Octyl isothiocyanate (CAS 17701-76-7) is a compound in the Organic Acids category listed in the Jingsj chemical database. It has the molecular formula C9H17NS and a molecular weight of 171.30300 g/mol. It is also known as 2-Isothiocyanato-2,4,4-trimethylpentane, 1,1,3,3-Tetramethylbutyl isothiocyanate and 2-isothiocyanato-2,4,4-trimethylpentane. Key properties include a boiling point of 227.7ºC at 760mmHg, a density of 1.199 and a flash point of 69 °C. No supplier offers are currently listed; request a quote. Record last updated Aug 21, 2026.

CAS No.
17701-76-7
Jingsj CID
J-20744-7
Molecular Formula
C9H17NS
Chinese Name
异硫氰酸叔辛酯
Molecular Weight
171.30300 g/mol
Category
Organic Acids
Last updated
8/21/2026

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Physicochemical Properties

Boiling Point227.7ºC at 760mmHg
Density1.199
Flash Point69 °C

Frequently Asked Questions

What is the CAS number of tert-Octyl isothiocyanate?

The CAS number of tert-Octyl isothiocyanate is 17701-76-7.

What are the molecular formula and molecular weight of tert-Octyl isothiocyanate?

tert-Octyl isothiocyanate has molecular formula C9H17NS and molecular weight 171.30300 g/mol.

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

Last updated:

How to cite: Jingsj. "tert-Octyl isothiocyanate (CAS 17701-76-7)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-20744-7 (accessed 2026-10-23).

Data for reference only; verify specifications, grades and regulatory status with suppliers before purchase.