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2,3-Dimethyl-1-hexene 98%

CAT: 0286-D41130Size: 50 gDry Ice: NoHazardous: Yes
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CAT#:0286-D41130Size:50 g
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CAS Number
16746-86-4
UN Code
UN3295
Pictogram
02 - Flammable; 08 - Health Hazard; 09 - Environmental hazard
UDF Signal Word
Danger
MDL Number
MFCD00039950
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.
DOT Name
Hydrocarbons, Liquid, N.O.S.
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; 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.

Chemical Information

2,3-Dimethylhex-1-ene
CAS Number16746-86-4
PubChem CID86061
IUPAC Name2,3-dimethylhex-1-ene
Molecular FormulaC8H16
Molecular Weight112.21
XLogP3.9
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity72
SMILES
CCCC(C)C(=C)C
InChI
InChI=1S/C8H16/c1-5-6-8(4)7(2)3/h8H,2,5-6H2,1,3-4H3
InChIKey
LVLXQRZPKUFJJQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Dimethylhex-1-ene
CAS: 16746-86-4
CID: 86061
Formula: C8H16
MW: 112.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight112.21
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Exact Mass112.125200510
Monoisotopic Mass112.125200510
Topological Polar Surface Area0 Ų
Heavy Atom Count8
Formal Charge0
Complexity72.1
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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CatalogName
sc-4850113,3-Dimethyl-1-hexene
sc-4850082,4-Dimethyl-1-hexene
sc-4867633,4-Dimethyl-1-hexene
sc-4850102,5-Dimethyl-1-hexene
sc-487090Cis-2,2-Dimethyl-3-hexene
sc-4876682,5-Dimethyl-2-hexene
AR-H07551-015,5-Dimethyl-2-Hexene
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