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2-Butanone peroxide

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Name

2-Butanone peroxide

EINECS 215-661-2
CAS No. 1338-23-4 Density 1.16 g/cm3
PSA 77.38000 LogP 2.16620
Solubility H2O: 0.1-0.5 g/100 mL at 22 °C Melting Point 110 °C
Formula C8H18O6 Boiling Point 304.9 °C at 760 mmHg
Molecular Weight 210.22 Flash Point 138.2 °C
Transport Information UN 2127/2550/3105 Appearance colourless liquid of high viscosity
Safety 17-26-36/37/39-45-14-53-3/7-47-7 Risk Codes 8-22-38-41-43-34-7-35-23-9
Molecular Structure Molecular Structure of 1338-23-4 (2-Butanone peroxide) Hazard Symbols OxidizingO,HarmfulXn,CorrosiveC,ToxicT
Synonyms

Methyl ethyl ketone peroxide;

 

2-Butanone peroxide Consensus Reports

Reported in EPA TSCA Inventory.

2-Butanone peroxide Standards and Recommendations

OSHA PEL: CL 0.7 ppm
ACGIH TLV: CL 0.2 ppm
DFG MAK: Organic Peroxide, moderate skin irritant
DOT Classification:  Forbidden

2-Butanone peroxide Analytical Methods

For occupational chemical analysis use NIOSH: Methyl Ethyl Ketone Peroxide, 3508.

2-Butanone peroxide Specification

The 2-Butanone peroxide, with the CAS registry number 1338-23-4, is also known as Butanox LPT. It belongs to the product categories of Industrial/Fine Chemicals; Ketone. Its EINECS registry number is 215-661-2. This chemical's molecular formula is C8H18O6 and molecular weight is 210.22492. Its IUPAC name is called 2-hydroperoxy-2-(2-hydroperoxybutan-2-ylperoxy)butane. What's more, this chemical can be used as normal temperature curing agent. It also can be used as initiator, bleach and fungicide in organic synthesis.

Physical properties of 2-Butanone peroxide: (1)ACD/LogP: 3.66; (2)#H bond acceptors: 6; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 9; (5)Index of Refraction: 1.454; (6)Molar Refractivity: 49.09 cm3; (7)Molar Volume: 181.1 cm3; (8)Surface Tension: 39 dyne/cm; (9)Density: 1.16 g/cm3; (10)Flash Point: 138.2 °C; (11)Enthalpy of Vaporization: 63.24 kJ/mol; (12)Boiling Point: 304.9 °C at 760 mmHg; (13)Vapour Pressure: 8.05E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by methyl ethyl ketone and hydrogen peroxide. This reaction will need reagent H2SO4.

2CH3COC2H5+H2O2→C8H18O6

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(C)(OO)OOC(C)(CC)OO
(2)InChI: InChI=1S/C8H18O6/c1-5-7(3,11-9)13-14-8(4,6-2)12-10/h9-10H,5-6H2,1-4H3
(3)InChIKey: WFUGQJXVXHBTEM-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TDLo oral 480mg/kg (480mg/kg) GASTROINTESTINAL: CHANGE IN STRUCTURE OR FUNCTION OF ESOPHAGUS

GASTROINTESTINAL: NAUSEA OR VOMITING

GASTROINTESTINAL: OTHER CHANGES
National Clearinghouse for Poison Control Centers, Bulletin. Vol. Jan/Feb, Pg. 1969,
mouse LC50 inhalation 170ppm/4H (170ppm) LUNGS, THORAX, OR RESPIRATION: DYSPNEA American Industrial Hygiene Association Journal. Vol. 19, Pg. 205, 1958.
mouse LD50 oral 470mg/kg (470mg/kg)   JAMA, Journal of the American Medical Association. Vol. 165, Pg. 201, 1957.
rat LC50 inhalation 200ppm/4H (200ppm) LUNGS, THORAX, OR RESPIRATION: DYSPNEA American Industrial Hygiene Association Journal. Vol. 19, Pg. 205, 1958.
rat LD50 intraperitoneal 65mg/kg (65mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: ATAXIA
American Industrial Hygiene Association Journal. Vol. 19, Pg. 205, 1958.
rat LD50 oral 484mg/kg (484mg/kg)   American Industrial Hygiene Association Journal. Vol. 19, Pg. 205, 1958.