tert-Butyl peroxy-3,5,5-trimethylhexanoate Property

Melting point:

-30 °C

Boiling point:

312.34°C (rough estimate)

Density 

0.897

vapor pressure 

3Pa at 30.05℃

refractive index 

1.4295-1.4315

storage temp. 

Refrigerator (+4°C)

Water Solubility 

partly miscible

InChI

InChI=1S/C13H26O3/c1-10(9-12(2,3)4)8-11(14)15-16-13(5,6)7/h10H,8-9H2,1-7H3

InChIKey

VSJBBIJIXZVVLQ-UHFFFAOYSA-N

SMILES

C(OOC(C)(C)C)(=O)CC(C)CC(C)(C)C

LogP

4.4 at 25℃

CAS DataBase Reference

13122-18-4

EPA Substance Registry System

Hexaneperoxoic acid, 3,5,5-trimethyl-, 1,1-dimethylethyl ester (13122-18-4)

Safety

Hazard Codes 

Xi-O,Xi,O

Risk Statements 

7-38

Safety Statements 

36/37/39-3/7-26-14A

RIDADR 

UN 2104

HS Code 

29159000

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H242Heating may cause a fire

H317May cause an allergic skin reaction

H400Very toxic to aquatic life

H412Harmful to aquatic life with long lasting effects

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P220Keep/Store away from clothing/…/combustible materials.

P234Keep only in original container.

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P272Contaminated work clothing should not be allowed out of the workplace.

P273Avoid release to the environment.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P321Specific treatment (see … on this label).

P333+P313IF SKIN irritation or rash occurs: Get medical advice/attention.

P363Wash contaminated clothing before reuse.

P370+P378In case of fire: Use … for extinction.

P391Collect spillage. Hazardous to the aquatic environment

P403+P235Store in a well-ventilated place. Keep cool.

P411Store at temperatures not exceeding … oC/…oF.

P420Store away from other materials.

P501Dispose of contents/container to..…

tert-Butyl peroxy-3,5,5-trimethylhexanoate Chemical Properties,Usage,Production

Chemical Properties

clear liquid

Uses

Tert-butyl peroxy-3,5,5-trimethylhexanoate is a clear liquid which has C13H26O3 as chemical formula. It is used as initiator in the production of acrylic polymers, polyethylene and styrene. Further it is applied as curing agent in the production of unsaturated polyester resins.

General Description

This peroxide is sensitive to heat. Storage of tert-Butyl peroxy-3,5,5-trimethylhexanoate must be done so with stringent temperature control measures.

Air & Water Reactions

No rapid reaction with air. No rapid reaction with water.

Reactivity Profile

TERT-BUTYL PEROXY-3,5,5-TRIMETHYL HEXANOATE explodes with great violence when rapidly heated to a critical temperature; pure form is shock sensitive and detonable [Bretherick 1979 p. 602].

Flammability and Explosibility

Not classified