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3,5-Dimethoxy-4-hydroxyacetophenone 97%

CAT: 0286-D34540-03Size: 25 gDry Ice: NoHazardous: No
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CAS Number
2478-38-8
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00008748
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

Acetosyringone

Acetosyringone is a member of the class of acetophenones that is 1-phenylethanone substituted by a hydroxy group at position 4 and methoxy groups at positions 3 and 5. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, a peripheral nervous system drug, an anti-asthmatic drug and a plant metabolite. It is a member of acetophenones, a member of phenols and a dimethoxybenzene.

CAS Number2478-38-8
PubChem CID17198
IUPAC Name1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone
Molecular FormulaC10H12O4
Molecular Weight196.20
XLogP0.2
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity190
SMILES
CC(=O)C1=CC(=C(C(=C1)OC)O)OC
InChI
InChI=1S/C10H12O4/c1-6(11)7-4-8(13-2)10(12)9(5-7)14-3/h4-5,12H,1-3H3
InChIKey
OJOBTAOGJIWAGB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acetosyringone
CAS: 2478-38-8
CID: 17198
Formula: C10H12O4
MW: 196.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.20
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass196.07355886
Monoisotopic Mass196.07355886
Topological Polar Surface Area55.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity190
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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