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3-Methylpentane

CAT: 0286-M24360-01Size: 25 gDry Ice: NoHazardous: Yes
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CAT#:0286-M24360-01Size:25 g
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CAS Number
96-14-0
Synonyms
Methyl diethyl methane; Diethylmethylmethane
UN Code
UN1208
Pictogram
02 - Flammable; 07 - Irritant; 08 - Health Hazard; 09 - Environmental hazard
UDF Signal Word
Danger
MDL Number
MFCD00009342
Hazard Statement
H225 Highly flammable liquid and vapor; H304 May be fatal if swallowed and enters airways; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation; H336 May cause drowsiness or dizziness; H411 Toxic to aquatic life with long-lasting effects.
Other Statements
EUH018 In use may form flammable/explosive vapour-air mixture
DOT Name
Hexanes
DOT Classification
Class 3
Packaging Group
PGII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P271 Use only outdoors or in a well-ventilated area; P273 Avoid release to the environment; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; 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; P331 Do NOT induce vomiting; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P403+P235 Store in a well-ventilated place. Keep cool.

Chemical Information

3-Methylpentane

3-methylpentane is an alkane that is pentane which is substituted by a methyl group at position 3. It is used as a solvent in organic synthesis, as a lubricant and as a raw material for producing carbon black. It has a role as a non-polar solvent, an allelochemical and a human metabolite. It is a volatile organic compound and an alkane.

CAS Number96-14-0
PubChem CID7282
IUPAC Name3-methylpentane
Molecular FormulaC6H14
Molecular Weight86.18
XLogP3.2
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity19
SMILES
CCC(C)CC
InChI
InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3
InChIKey
PFEOZHBOMNWTJB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methylpentane
CAS: 96-14-0
CID: 7282
Formula: C6H14
MW: 86.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight86.18
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass86.109550447
Monoisotopic Mass86.109550447
Topological Polar Surface Area0 Ų
Heavy Atom Count6
Formal Charge0
Complexity19.2
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

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