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3',4',5'-Trimethoxyacetophenone

CAT: 0286-T25955-02Size: 25 gDry Ice: NoHazardous: No
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CAT#:0286-T25955-02Size:25 g
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CAS Number
1136-86-3
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00008738
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

3',4',5'-Trimethoxyacetophenone

3,4,5-trimethoxyacetophenone is a member of the class of acetophenones that is acetophenone substituted by methoxy groups at positions 3, 4 and 5 respectively. It is a member of acetophenones and a member of methoxybenzenes. It is functionally related to an acetophenone.

CAS Number1136-86-3
PubChem CID14345
IUPAC Name1-(3,4,5-trimethoxyphenyl)ethanone
Molecular FormulaC11H14O4
Molecular Weight210.23
XLogP1.2
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity203
SMILES
CC(=O)C1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C11H14O4/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6H,1-4H3
InChIKey
VUGQIIQFXCXZJU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3',4',5'-Trimethoxyacetophenone
CAS: 1136-86-3
CID: 14345
Formula: C11H14O4
MW: 210.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.23
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass210.08920892
Monoisotopic Mass210.08920892
Topological Polar Surface Area44.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity203
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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