tert-Butyl peroxyneoheptanoate (CAS 26748-38-9)

CAS Number

26748-38-9

Molecular Formula

C11H20O4

Molecular Weight

216.27

EINECS Number

247-954-6

MDL Number

MFCD00143111

BRN Number

Not Specified

Last Updated

6/1/2026

Appearance

Colorless clear liquid (commercially phlegmatized solution), highly volatile; pure state is extremely unstable at ambient temperature

Appearance State

Liquid. Insoluble in water, miscible with most high-flash-point aliphatic hydrocarbon solvents (e.g., isoparaffins) and ester plasticizer diluents.

Color

Colorless

Odor

Slight, characteristic peroxide or ester-like pungent odor

Form

Clear liquid (commercially phlegmatized solution or stable dispersion in water)

Melting Point

<-20 °C

Boiling Point

224.5 °C @ 760 mmHg (Predicted. Highly active low-temperature peroxyester, prone to rapid self-accelerating decomposition and explosion under heat, no safety guiding significance)

Flash Point

64.4 °C (predicted)

Density

0.919 g/cm³

Vapor Density

7.46 (air=1)

Vapor Pressure

1.35E-02 mmHg @ 25°C

Refractive Index

1.426

LogP Value

3.2 (predicted)

Merck Index

Not Specified

Solubility

Insoluble in water, miscible with aliphatic hydrocarbons, aromatic hydrocarbons, and ester diluents

Water Solubility

Insoluble (approx. 15 mg/L @ 25 °C predicted) (Highly hydrophobic neoheptanoate skeleton, virtually insoluble in water, prevent catalytic decomposition by trace acid/base)

Solubility Detail

Insoluble in water. Due to its exceptionally high thermal sensitivity and low SADT in concentrated form, distribution or transportation as a pure substance is strictly prohibited. UN regulations dictate it must be phlegmatized commercially as a solution with a maximum concentration of 77% containing >=23% Type A diluent, or as a stable aqueous dispersion with content <=42%.

Storage Conditions

Must be handled under stringent freeze-controlled organic peroxide management standards. Ambient storage or transportation is entirely forbidden; it must be force-frozen and maintained between -20°C and -10°C (According to UN RTDG organic peroxide list, the Control Temperature for its commercial formulation is 0°C, and the Emergency Temperature is 10°C). With an SADT of approximately 20°C, rapid exothermic thermal runaway and violent container rupture can easily trigger at normal temperatures. Storage is limited to isolated, explosion-proof hazardous warehouses equipped with redundant refrigeration, emergency pressure relief, and dedicated ventilation. Keep strictly isolated from strong acids, bases, reducing agents, and heavy metal accelerators.

InChI Key

UXPDDYBTPCKLAV-UHFFFAOYSA-N

Signal Word

Danger

Hazard Symbols

E, O, Xi

Risk Codes

R2, R7, R36/38, R52/53

UN Number

UN 3113 (Organic peroxide liquid, Type C, temperature controlled)

IARC Classification

Not Classified

WGK Germany

2

RTECS Number

Not Specified

Auto-ignition Temperature

Not Specified

TSCA Listed

Listed (Active)

Packing Group

II

Customs Code

2916190090

Occupational Exposure Band (OEB)

Not Specified

Occupational Exposure Limit (OEL)

Not Specified

Immediately Dangerous to Life or Health (IDLH)

Not Specified