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Chemical substance record

Diethyl sulfate

64-67-5C4H10O4S154.187 g/mol

The diethyl ester of sulfuric acid. — ChEBI

Safety references

Safety documents & references

1 indexed references
JP · NITE

Government GHS classification

H30-C-125-MHLW, C-003-MOE · FY2018

View classification

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Safety guides and government classification records are not a manufacturer’s SDS. Match supplier, product number, concentration, physical form, region and revision before using a document.

Identity & molecular properties

Source-linked values
CAS number64-67-5ChEBI ↗
Molecular formulaC4H10O4SChEBI ↗
Molar mass154.187 g/molChEBI ↗
Monoisotopic mass154.02998 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:34699ChEBI ↗

Names & structural identifiers

Copy any identifier
diethyl sulfate
DENRZWYUOJLTMF-UHFFFAOYSA-N
CCOS(=O)(=O)OCC
InChI=1S/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3

Classification & relationships

ChEBI ontology

Roles recorded in ChEBI

alkylating agentmutagencarcinogenic agentapoptosis inducer

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Safety classification · Japan

NITE / Japanese government
Japan · FY2018 source classification
Diethyl sulfate · H30-C-125-MHLW, C-003-MOE

Selected source-reported endpoints. Other endpoints, rationales and conditions remain in the original classification. Missing or unlisted information does not mean non-hazardous. This is not a global classification or transport decision.

Read the original NITE classification

Mass ↔ amount of substance

Calculated from sourced mass
Equivalent amount
0.00648563 mol

Uses 154.187 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions
O
Oxygen · 4 atoms
41.50%
C
Carbon · 4 atoms
31.16%
S
Sulfur · 1 atom
20.80%
H
Hydrogen · 10 atoms
6.54%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations
Diethyl sulfate. ↗Report on carcinogens : carcinogen profiles · 2002 · PMID 15323041
[Assessment of injuries caused by diethyl sulfate poisoning]. ↗Fa yi xue za zhi · 2007 Apr · PMID 17619463

Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:34699

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.