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2 5-Dimethylanisole

CAT: 0286-D37288-02Size: 100 gDry Ice: NoHazardous: No
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CAT#:0286-D37288-02Size:100 g
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CAS Number
1706-11-2
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00008378
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
Precautions
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

2,5-Dimethylanisole
CAS Number1706-11-2
PubChem CID74350
IUPAC Name2-methoxy-1,4-dimethylbenzene
Molecular FormulaC9H12O
Molecular Weight136.19
XLogP2.4
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity101
SMILES
CC1=CC(=C(C=C1)C)OC
InChI
InChI=1S/C9H12O/c1-7-4-5-8(2)9(6-7)10-3/h4-6H,1-3H3
InChIKey
SJZAUIVYZWPNAS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Dimethylanisole
CAS: 1706-11-2
CID: 74350
Formula: C9H12O
MW: 136.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.19
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass136.088815002
Monoisotopic Mass136.088815002
Topological Polar Surface Area9.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity101
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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