1,2-Epoxy-5-hexene - CAS 10353-53-4

Catalog:	BB053992
Product Name:	1,2-Epoxy-5-hexene
CAS:	10353-53-4
Synonyms:	1-Hexene, 5,6-epoxy-; 2-(3-Butenyl)oxirane; 5,6-Epoxy-1-hexene; Diallyl monooxide; 3-Butenyloxirane; 2-(3-Buten-1-yl)oxirane; ω-Butenyloxirane; Diallylmonooxide

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2-but-3-enyloxirane
Molecular Weight:	98.14
Molecular Formula:	C6H10O
Canonical SMILES:	C=CCCC1CO1
InChI:	InChI=1S/C6H10O/c1-2-3-4-6-5-7-6/h2,6H,1,3-5H2
InChI Key:	MUUOUUYKIVSIAR-UHFFFAOYSA-N
Boiling Point:	120.0±0.0°C at 760 mmHg
Flash Point:	15 °C
Purity:	≥95%
Density:	0.87 g/mL at 25°C
Appearance:	Clear Colorless to Slightly Yellow Liquid
Storage:	Store at 2-8°C
Refractive Index:	n20/D 1.425 (lit.)

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GHS Hazard Statement:	H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]; H301 (98.11%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P210: Keep away from heat, sparks, open flames, hot surfaces. No smoking. P233: Keep container tightly closed. P261: Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP]. P264: Wash thoroughly after handling. P280: Wear protective gloves/protective clothing/eye protection/face protection. P370+P378: In case of fire: Use for extinction:
Signal Word:	Danger

Complexity:	68.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	98.07316493799999
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	98.07316493799999
Rotatable Bond Count:	3
Topological Polar Surface Area:	12.5
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4