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3-Methylhexane 99%

CAT: 0286-M19460-02Size: 50 gDry Ice: NoHazardous: Yes
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CAT#:0286-M19460-02Size:50 g
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CAS Number
589-34-4
Synonyms
Ethylmethylpropylmethane; 1-Ethyl-1-propylethane
UN Code
UN1206
Pictogram
02 - Flammable; 07 - Irritant; 08 - Health Hazard; 09 - Environmental hazard
UDF Signal Word
Warning
MDL Number
MFCD00009408
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; H410 Very toxic to aquatic life with long-lasting effects.
DOT Name
Heptanes
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; P271 Use only outdoors or in a well-ventilated area; 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+P233 Store in a well-ventilated place. Keep container tightly closed.

Chemical Information

3-Methylhexane

3-methylhexane is an alkane that is hexane substituted by a methyl group at position 3. It has a role as a human metabolite. It is a volatile organic compound and an alkane.

CAS Number589-34-4
PubChem CID11507
IUPAC Name3-methylhexane
Molecular FormulaC7H16
Molecular Weight100.20
XLogP3.7
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity31
SMILES
CCCC(C)CC
InChI
InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3
InChIKey
VLJXXKKOSFGPHI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methylhexane
CAS: 589-34-4
CID: 11507
Formula: C7H16
MW: 100.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight100.20
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Exact Mass100.125200510
Monoisotopic Mass100.125200510
Topological Polar Surface Area0 Ų
Heavy Atom Count7
Formal Charge0
Complexity31
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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