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75-91-2

75-91-2 structural image
Product Name: tert-Butyl hydroperoxide
Formula: C4H10O2
Synonyms: 1,1-Dimethylethyl hydroperoxide;2-Hydroperoxy-2-methylpropane;TBHP
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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)

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