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1,2,3-Phenenyl triacetate

CAT: 0286-P06540-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0286-P06540-01Size:25 g
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CAS Number
525-52-0
Synonyms
1,2,3-Triacetoxybenzene; Pyrogallol triacetate
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00017220
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

Pyrogallol triacetate
CAS Number525-52-0
PubChem CID10678
IUPAC Name(2,3-diacetyloxyphenyl) acetate
Molecular FormulaC12H12O6
Molecular Weight252.22
XLogP0.9
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count18
Formal Charge0
Complexity313
SMILES
CC(=O)OC1=C(C(=CC=C1)OC(=O)C)OC(=O)C
InChI
InChI=1S/C12H12O6/c1-7(13)16-10-5-4-6-11(17-8(2)14)12(10)18-9(3)15/h4-6H,1-3H3
InChIKey
AQGLTPNHAAVOKN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyrogallol triacetate
CAS: 525-52-0
CID: 10678
Formula: C12H12O6
MW: 252.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.22
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass252.06338810
Monoisotopic Mass252.06338810
Topological Polar Surface Area78.9 Ų
Heavy Atom Count18
Formal Charge0
Complexity313
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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