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M-Dioxane

CAT: 0286-D48773-01Size: 5 mLDry Ice: NoHazardous: Yes
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CAT#:0286-D48773-01Size:5 mL
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CAS Number
505-22-6
UN Code
UN1165
Pictogram
02 - Flammable; 07 - Irritant
UDF Signal Word
Danger
MDL Number
MFCD00006566
Hazard Statement
H225 Highly flammable liquid and vapor; H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
Other Statements
EUH018 In use may form flammable/explosive vapour-air mixture
DOT Name
Dioxane
DOT Classification
Class 3
Packaging Group
PGII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P240 Ground/bond container and receiving equipment; P241 Use explosion-proof electrical/ventilating/lighting/[ ]/equipment; P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; 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. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P403+P235 Store in a well-ventilated place. Keep cool.

Chemical Information

1,3-Dioxane

1,3-dioxane is a dioxane and a cyclic acetal.

CAS Number505-22-6
PubChem CID10450
IUPAC Name1,3-dioxane
Molecular FormulaC4H8O2
Molecular Weight88.11
XLogP-0.2
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity32
SMILES
C1COCOC1
InChI
InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2
InChIKey
VDFVNEFVBPFDSB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Dioxane
CAS: 505-22-6
CID: 10450
Formula: C4H8O2
MW: 88.11
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight88.11
XLogP3-0.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass88.052429494
Monoisotopic Mass88.052429494
Topological Polar Surface Area18.5 Ų
Heavy Atom Count6
Formal Charge0
Complexity32.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes