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Isopropylcyclohexane

CAT: 0286-I09700-02Size: 100 gDry Ice: NoHazardous: Yes
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CAT#:0286-I09700-02Size:100 g
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CAS Number
696-29-7
UN Code
UN3295
Pictogram
02 - Flammable; 07 - Irritant; 08 - Health Hazard
UDF Signal Word
Danger
MDL Number
MFCD00001480
Hazard Statement
H226 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.
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; P331 Do NOT induce vomiting; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Isopropylcyclohexane

Isopropylcyclohexane is a cycloalkane.

CAS Number696-29-7
PubChem CID12763
IUPAC Namepropan-2-ylcyclohexane
Molecular FormulaC9H18
Molecular Weight126.24
XLogP4.3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity68
SMILES
CC(C)C1CCCCC1
InChI
InChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
InChIKey
GWESVXSMPKAFAS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isopropylcyclohexane
CAS: 696-29-7
CID: 12763
Formula: C9H18
MW: 126.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.24
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass126.140850574
Monoisotopic Mass126.140850574
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity68.1
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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