Ethanol, 2-mercapto-, 1-acetate｜Huagongshe

HuagongsheHuagongshe Chemistry Print Report · For research reference only

HCID 98505Generated: October 27, 2026

Ethanol, 2-mercapto-, 1-acetate

Nsc 84231 · Einecs 227-509-2 · 2-Acetoxyethanethiol · 2-mercaptoethyl acetat · 2-Mercaptoethanol 1-acetate · Ethanol, 2-mercapto-, 1-acetate · Acetic acid 2-mercaptoethyl ester

https://huagongshe.com/en/chemical/98505

Ethanol, 2-mercapto-, 1-acetate molecular structure

Identifiers & Physical Properties

CAS No.	5862-40-8
Molecular formula	C4H8O2S
Average molar mass	120.17 g/mol
Monoisotopic mass	120.0245005 g/mol
SMILES	CC(=O)OCCS
InChIKey	YDLAHBBJAGGIJZ-UHFFFAOYSA-N
PubChem CID	98505
EC No.	227-509-2
DTXSID	DTXSID0064042

Chemical & Physical Properties

XLogP	0.4
Topological polar surface area	27.3
Hydrogen bond donors	1
Hydrogen bond acceptors	3
Rotatable bonds	3
Heavy atoms	7
Formal charge	0
Complexity	62.7
SpringerMaterials Properties	Chemical shift
Boiling point	68-70 °C(Press: 15 Torr)
Density	1.072±0.06 g/cm3(Predicted)
pKa (acidity coefficient)	9.47±0.10(Predicted)
EPA Substance Registry System	Ethanol, 2-mercapto-, 1-acetate (5862-40-8)
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H302
GHS precautionary statements	P264-P270-P301+P312-P330-P501
TSCA inventory status	TSCA listed

Safety & Regulations

GHS classification	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 4 (100%)
TSCA inventory status	TSCA listed
Signal word	Warning
GHS pictogram	GHS07
GHS hazard statements	H302
GHS precautionary statements	P264-P270-P301+P312-P330-P501