1068-27-5

Name 2,5-Di(tert-butylperoxy)-2,5-dimethyl-3-hexyne
CAS 1068-27-5
EINECS(EC#) 213-944-5
Molecular Formula C16H30O4
MDL Number MFCD00048242
Molecular Weight 286.41
MOL File 1068-27-5.mol

Chemical Properties

Melting point  88 °C (SADT)(lit.)
Boiling point  348.77°C (rough estimate)
density  1.26 g/mL at 25 °C(lit.)
vapor pressure  0.011Pa at 20℃
refractive index  1.4340 (estimate)
Fp  188 °F
storage temp.  2-8°C
form  Solid
color  White to Off-White
Water Solubility  2.2mg/L at 20℃
InChI 1S/C16H30O4/c1-13(2,3)17-19-15(7,8)11-12-16(9,10)20-18-14(4,5)6/h1-10H3
InChIKey ODBCKCWTWALFKM-UHFFFAOYSA-N
SMILES CC(C)(C)OOC(C)(C)C#CC(C)(C)OOC(C)(C)C
LogP 6.71 at 25℃
CAS DataBase Reference 1068-27-5(CAS DataBase Reference)
EPA Substance Registry System 1068-27-5(EPA Substance)

Safety Data

Hazard Codes  O,Xi
Risk Statements 
R8:Contact with combustible material may cause fire.
R38:Irritating to the skin.
R36/37/38:Irritating to eyes, respiratory system and skin .
R7:May cause fire.
R41:Risk of serious damage to eyes.
R37/38:Irritating to respiratory system and skin .
Safety Statements 
S7:Keep container tightly closed .
S17:Keep away from combustible material .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S3/7:Keep container tightly closed in a cool place .
S14:Keep away from ... (incompatible materials to be indicated by the manufacturer) .
S47:Keep at temperature not exceeding ... E C (to be specified by the manufacturer) .
RIDADR  UN 3106 5.2
WGK Germany  3
RTECS  MQ9750000
TSCA  TSCA listed
REACH Registrations Active
HazardClass  5.2
PackingGroup  II
HS Code  29096000
Storage Class 5.2 - Organic peroxides and self-reacting hazardous materials
Hazard Classifications Eye Irrit. 2
Org. Perox. D
Skin Irrit. 2

Hazard Information

Material Safety Data Sheet(MSDS)

Well-known Reagent Company Product Information

Supplier