(3-Methyl-3-oxetanyl)methyl 4-methylbenzenesulfonate

Basic Information

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CAS Number

99314-44-0

Molecular Formula

C12H16O4S

Molecular Weight

256.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

50-51°

Boiling Point

381.1°C at 760 mmHg

SMILES

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CC1=CC=C(C=C1)S(=O)(=O)OCC2(COC2)C

InChI

InChI=1S/C12H16O4S/c1-10-3-5-11(6-4-10)17(13,14)16-9-12(2)7-15-8-12/h3-6H,7-9H2,1-2H3

InChIKey

PZOQQSOZRVZCMC-UHFFFAOYSA-N

LogP

1.73682

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

345

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

(3-methyloxetan-3-yl)methyl 4-methylbenzenesulonate
AB44792
SCHEMBL277105
3-METHYL-3-(TOLUENESULFONYLOXYMETHYL)OXETANE
AM808080
A858478
3-methyl-3-(4-toluenesulphonyloxymethyl)-oxetane
SY110043
3-Oxetanemethanol, 3-methyl-, 3-(4-methylbenzenesulfonate)
3-hydroxymethyl-3-methyloxetane p-tosylate
(3-methyloxetan-3-yl)methyl 4-methylbenzenesulfonate
DTXSID40420127
PZOQQSOZRVZCMC-UHFFFAOYSA-N
(3-methyloxetan-3-yl)methyl 4-methylbenzene-1-sulfonate
EN300-7364208
CHEBI:189172
toluene-4-sulfonic acid 3-methyl-oxetan-3-ylmethyl ester
(3-METHYLOXETAN-3-YL)METHYL P-TOSYLATE
(3-methyl-3-oxetanyl)methyl 4-methylbenzenesulfonate
(3-methyloxetan-3-yl)methyl 4-toluenesulfonate
J-501224
(3-METHYLOXETAN-3-YL)METHYL4-METHYLBENZENESULFONATE
Toluene-4-sulfonic acid 3-methyloxetan-3-ylmethyl ester
(3-METHYL-3-OXETANYL)METHYL4-METHYLBENZENESULFONATE
UPCMLD00WCRH3-139
GC-0776
AKOS005072565
MFCD08275394
99314-44-0
FT-0681078
(3-Methyloxetan-3-yl)methyl 4-methylbenzenesulfonate

MDL Number

MFCD08275394

Customs Code

2932999099

FAQ

What is (3-Methyl-3-oxetanyl)methyl 4-methylbenzenesulfonate (CAS: 99314-44-0)?

(3-Methyl-3-oxetanyl)methyl 4-methylbenzenesulfonate (CAS: 99314-44-0) is a chemical compound characterized by a 3-methyl-3-oxetanyl side chain and a 4-methylbenzenesulfonate group. It is a colorless solid with a pungent odor, and it is soluble in organic solvents. This compound is used in various applications including pharmaceuticals, research, and industry.

What are the main uses of (3-Methyl-3-oxetanyl)methyl 4-methylbenzenesulfonate (CAS: 99314-44-0)?

(3-Methyl-3-oxetanyl)methyl 4-methylbenzenesulfonate (CAS: 99314-44-0) is primarily used in pharmaceuticals for its potential as an intermediate in drug synthesis. It is also utilized in research for organic synthesis and as a reagent. Industrially, it may be used in the production of certain organic compounds and materials.

Is (3-Methyl-3-oxetanyl)methyl 4-methylbenzenesulfonate (CAS: 99314-44-0) safe?

(3-Methyl-3-oxetanyl)methyl 4-methylbenzenesulfonate (CAS: 99314-44-0) is generally considered safe when handled with proper precautions. However, it should be stored in a cool, dry place and away from direct sunlight. Protective clothing, gloves, and goggles should be worn during handling to avoid skin contact and inhalation. Ingestion is highly discouraged and should be avoided.

How should (3-Methyl-3-oxetanyl)methyl 4-methylbenzenesulfonate (CAS: 99314-44-0) be stored?

(3-Methyl-3-oxetanyl)methyl 4-methylbenzenesulfonate (CAS: 99314-44-0) should be stored in a closed container at room temperature, protected from direct sunlight and moisture. It should be kept in a cool, dry place away from incompatible materials and ignition sources. The container should be tightly sealed to prevent moisture absorption and ensure the compound remains stable and safe for use.