Phenethyl isothiocyanate

异硫氰酸-2-苯乙酯

Also known as: 2-Phenylethyl isothiocyanate, 2-Isothiocyanatoethylbenzene, 1-(2-Isothiocyanatoethyl)benzene, Isothiocyanic acid 2-phenylethyl ester, Isothiocyanic acid phenethyl ester, Beta-phenethyl isothiocyanate, Beta-phenylethyl isothiocyanate, Phenethyl mustard oil, Phenylethyl isothiocyanate, PEITC, PhCH2CH2NCS, NSC 87868

Phenethyl isothiocyanate (CAS 2257-09-2) 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. It is also known as 2-Phenylethyl isothiocyanate, 2-Isothiocyanatoethylbenzene and 1-(2-Isothiocyanatoethyl)benzene. Key properties include a boiling point of 75 °C0.25 mm Hg, a density of 1.094 g/mL at 25 °C(lit.) and a flash point of >230 °F. GHS signal word: Danger. No supplier offers are currently listed; request a quote. Record last updated Aug 21, 2026.

CAS No.
2257-09-2
Jingsj CID
J-44606-0
Molecular Formula
C9H9NS
Chinese Name
异硫氰酸-2-苯乙酯
Molecular Weight
163.23900 g/mol
Category
Organic Acids
Last updated
8/21/2026

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Physicochemical Properties

Boiling Point75 °C0.25 mm Hg
Density1.094 g/mL at 25 °C(lit.)
Flash Point>230 °F

GHS Safety & Compliance

Irritant / Health HazardSignal word: Danger

Frequently Asked Questions

What is the CAS number of Phenethyl isothiocyanate?

The CAS number of Phenethyl isothiocyanate is 2257-09-2.

What are the molecular formula and molecular weight of Phenethyl isothiocyanate?

Phenethyl isothiocyanate has molecular formula C9H9NS and molecular weight 163.23900 g/mol.

Is Phenethyl isothiocyanate hazardous?

Phenethyl isothiocyanate has GHS signal word Danger.

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

Last updated:

How to cite: Jingsj. "Phenethyl isothiocyanate (CAS 2257-09-2)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-44606-0 (accessed 2026-10-22).

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