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2,4,6-Trimethoxybenzoic acid 98%

CAT: 0286-T26022-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0286-T26022-01Size:5 g
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CAS Number
570-02-5
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00016497
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

2,4,6-Trimethoxybenzoic acid

2,4,6-Trimethoxybenzoic acid has been reported in Siphoneugena densiflora with data available.

CAS Number570-02-5
PubChem CID68441
IUPAC Name2,4,6-trimethoxybenzoic acid
Molecular FormulaC10H12O5
Molecular Weight212.20
XLogP0.6
Topological Polar Surface Area65
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity204
SMILES
COC1=CC(=C(C(=C1)OC)C(=O)O)OC
InChI
InChI=1S/C10H12O5/c1-13-6-4-7(14-2)9(10(11)12)8(5-6)15-3/h4-5H,1-3H3,(H,11,12)
InChIKey
JATAKEDDMQNPOQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4,6-Trimethoxybenzoic acid
CAS: 570-02-5
CID: 68441
Formula: C10H12O5
MW: 212.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight212.20
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass212.06847348
Monoisotopic Mass212.06847348
Topological Polar Surface Area65 Ų
Heavy Atom Count15
Formal Charge0
Complexity204
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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