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3 5-Dimethylcumene

CAT: 0286-D38890Size: 10 gDry Ice: NoHazardous: No
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CAT#:0286-D38890Size:10 g
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CAS Number
4706-90-5
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00026405
Hazard Statement
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
Not D.O.T.-Regulated
Precautions
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.

Chemical Information

5-Isopropyl-m-xylene
CAS Number4706-90-5
PubChem CID20833
IUPAC Name1,3-dimethyl-5-propan-2-ylbenzene
Molecular FormulaC11H16
Molecular Weight148.24
XLogP3.8
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity105
SMILES
CC1=CC(=CC(=C1)C(C)C)C
InChI
InChI=1S/C11H16/c1-8(2)11-6-9(3)5-10(4)7-11/h5-8H,1-4H3
InChIKey
RMKJTYPFCFNTGQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Isopropyl-m-xylene
CAS: 4706-90-5
CID: 20833
Formula: C11H16
MW: 148.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight148.24
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass148.125200510
Monoisotopic Mass148.125200510
Topological Polar Surface Area0 Ų
Heavy Atom Count11
Formal Charge0
Complexity105
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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