tert-Butyl hydroperoxide CAS#75-91-2

Boiling point 

37 °C (15 mmHg)

density 

0.937 g/mL at 20 °C

vapor pressure 

62 mmHg at 45 °C

refractive index 

n20/D 1.403

Fp 

85 °F

storage temp. 

2-8°C

pka

pK1: 12.80 (25°C)

form 

Liquid

color 

Clear colorless

PH

4.3

Water Solubility 

Miscible

Merck 

14,1570

BRN 

1098280

Exposure limits

No exposure limit is set. On the basis of its irritant properties a ceiling limit of 1.2 mg/m3 (0.3 ppm) is recommended.

Stability:

Stable, but may explode if heated under confinement. Decomposition may be accelerated by traces of metals, molecular sieve or other contaminants. Incompatible with reducing agents, combustible material, acids.

InChI

1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3

InChIKey

CIHOLLKRGTVIJN-UHFFFAOYSA-N

SMILES

CC(C)(C)OO

LogP

1.230 (est)

CAS DataBase Reference

75-91-2(CAS DataBase Reference)

NIST Chemistry Reference

Tert-butyl hydroperoxide(75-91-2)

EPA Substance Registry System

tert-Butyl hydroperoxide (75-91-2)

Safety Information

Risk Statements 

7-10-20/21/22-34-65-52/53-43-67-53-68-51/53-23-21/22

Safety Statements 

14-3/7-61-45-36/37/39-24-17-16-14A-26-62-47-43

RIDADR 

UN 3109 5.2

WGK Germany 

3

RTECS 

EQ4900000

F 

3-21

Autoignition Temperature

Self-accelerating decomposition at 88 to 93 °C

TSCA 

TSCA listed

HazardClass 

5.2

PackingGroup 

II

HS Code 

29094990

Storage Class

5.2 - Organic peroxides and self-reacting hazardous materials

Hazard Classifications

Acute Tox. 2 Inhalation
Acute Tox. 3 Dermal
Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Asp. Tox. 1
Eye Dam. 1
Flam. Liq. 3
Muta. 2
Org. Perox. F
Skin Corr. 1C
Skin Sens. 1
STOT SE 3

Hazardous Substances Data

75-91-2(Hazardous Substances Data)

Toxicity

LD50 oral (rat) 406 mg/kg
LD50 skin (rabbit) 460 mg/kg
LC50 inhal (rat) 500 ppm (4 h)