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3,4-Dimethyl heptane 96%

CAT: 0286-D40560Size: 5 mLDry Ice: NoHazardous: Yes
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CAT#:0286-D40560Size:5 mL
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CAS Number
922-28-1
UN Code
UN3295
Pictogram
02 - Flammable; 07 - Irritant
UDF Signal Word
Danger
MDL Number
MFCD00048736
Hazard Statement
H226 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.
DOT Name
Hydrocarbons, Liquid, N.O.S.
DOT Classification
Class 3
Packaging Group
PGIII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P261 Avoid breathing dust/fume/gas/mist/vapors/spray; 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; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P403+P235 Store in a well-ventilated place. Keep cool.

Chemical Information

3,4-Dimethylheptane

3,4-dimethylheptane has been reported in Olea with data available.

CAS Number922-28-1
PubChem CID13534
IUPAC Name3,4-dimethylheptane
Molecular FormulaC9H20
Molecular Weight128.25
XLogP4.5
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity57
SMILES
CCCC(C)C(C)CC
InChI
InChI=1S/C9H20/c1-5-7-9(4)8(3)6-2/h8-9H,5-7H2,1-4H3
InChIKey
MAKRYGRRIKSDES-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Dimethylheptane
CAS: 922-28-1
CID: 13534
Formula: C9H20
MW: 128.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight128.25
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count4
Exact Mass128.156500638
Monoisotopic Mass128.156500638
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity57.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes