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Cis-2,5-Dimethyl-3-hexene

CAT: 0286-D41150Size: 1 gDry Ice: NoHazardous: Yes
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CAT#:0286-D41150Size:1 g
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CAS Number
692-70-6
UN Code
UN3295
Pictogram
02 - Flammable; 07 - Irritant
UDF Signal Word
Danger
MDL Number
MFCD00065128
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
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; 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

(3E)-2,5-Dimethyl-3-hexene
CAS Number692-70-6
PubChem CID638067
IUPAC Name(E)-2,5-dimethylhex-3-ene
Molecular FormulaC8H16
Molecular Weight112.21
XLogP3.2
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity58
SMILES
CC(C)/C=C/C(C)C
InChI
InChI=1S/C8H16/c1-7(2)5-6-8(3)4/h5-8H,1-4H3/b6-5+
InChIKey
KNCMKWVOMRUHKZ-AATRIKPKSA-N
Chemical Structure
2D Structure
2D structure of (3E)-2,5-Dimethyl-3-hexene
CAS: 692-70-6
CID: 638067
Formula: C8H16
MW: 112.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight112.21
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass112.125200510
Monoisotopic Mass112.125200510
Topological Polar Surface Area0 Ų
Heavy Atom Count8
Formal Charge0
Complexity58.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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sc-487090Cis-2,2-Dimethyl-3-hexene
AR-H07551-015,5-Dimethyl-2-Hexene
sc-239563Cis-2-Hexene
sc-4876682,5-Dimethyl-2-hexene
OR1078987-01Cis-3-Hexene
sc-4850102,5-Dimethyl-1-hexene
S-2215cis-2-Hexene - 1ML
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