75-91-2
Product Name:
tert-Butyl hydroperoxide
Formula:
C4H10O2
Synonyms:
1,1-Dimethylethyl hydroperoxide;2-Hydroperoxy-2-methylpropane;TBHP
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Watery odorless colorless liquid. Floats on and dissolves slowly in water. (USCG, 1999) |
|---|---|
| Color/Form | Liquid |
| Boiling Point | 192 °F at 760 mmHg (decomposes); 104 °F at 23 mmHg (NTP, 1992) |
| Melting Point | 18 °F (NTP, 1992) |
| Flash Point | 80 °F (NTP, 1992) |
| Solubility | greater than or equal to 100 mg/mL at 72 °F (NTP, 1992) |
| Density | 0.88 at 77 °F (USCG, 1999) - Less dense than water; will float |
| Vapor Density | 2.07 (NTP, 1992) - Heavier than air; will sink (Relative to Air) |
| Vapor Pressure | 5.46 [mmHg] |
| LogP | -1.3 (calculated) |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Autoignition Temperature | 238 °C |
| Decomposition | When heated to decomposition it emits acrid smoke and fumes. |
| Odor Threshold | Odor Threshold Low: 0.05 [mmHg] |
| Refractive Index | Index of refraction = 1.4015 at 20 °C/D |
| Dissociation Constants | pKa = 12.8 at 20 °C |
| Other Experimental Properties | A highly reactive peroxy compound; decomposes at 75 °C |
| Chemical Classes | Other Classes -> Peroxides, Organic |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Corrosion Corrosives GHS05  Skull and Crossbones Acute Toxicity GHS06  Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H226:Flammable liquids H242:Self-reactive substances and mixtures; and Organic peroxides H300:Acute toxicity,oral H302:Acute toxicity,oral H304:Aspiration hazard H310:Acute toxicity,dermal H311:Acute toxicity,dermal H314:Skin corrosion/irritation H317:Sensitisation, Skin H318:Serious eye damage/eye irritation H330:Acute toxicity,inhalation H336:Specific target organ toxicity,single exposure; Narcotic effects H341:Germ cell mutagenicity H371:Specific target organ toxicity, single exposure H372:Specific target organ toxicity, repeated exposure H373:Specific target organ toxicity, repeated exposure H410:Hazardous to the aquatic environment, long-term hazard H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P202:Do not handle until all safety precautions have been read and understood. P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P220:Keep/Store away from clothing/…/combustible materials. P233:Keep container tightly closed. P234:Keep only in original container. P240:Ground/bond container and receiving equipment. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P271:Use only outdoors or in a well-ventilated area. P272:Contaminated work clothing should not be allowed out of the workplace. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P284:Wear respiratory protection. P310:Immediately call a POISON CENTER or doctor/physician. P320:Specific treatment is urgent (see … on this label). P331:Do NOT induce vomiting. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. P410:Protect from sunlight. P403+P233:Store in a well-ventilated place. Keep container tightly closed. |
COMPUTED DESCRIPTORS
| Molecular Weight | 90.12 g/mol |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 90.068079557 g/mol |
| Monoisotopic Mass | 90.068079557 g/mol |
| Topological Polar Surface Area | 29.5 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 35.3 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Watery odorless colorless liquid. Floats on and dissolves slowly in water. (USCG, 1999)