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Pinacol 98%

CAT: 0286-P19490-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0286-P19490-01Size:25 g
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CAS Number
76-09-5
Synonyms
2,3-Dimethyl-2,3-butanediol; Tetramethylethylene glycol
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00004462
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

Pinacol

Pinacol is a glycol that is ethylene glycol in which all four methylene hydrogens have been replaced by methyl groups.

CAS Number76-09-5
PubChem CID6425
IUPAC Name2,3-dimethylbutane-2,3-diol
Molecular FormulaC6H14O2
Molecular Weight118.17
XLogP0.1
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity72
SMILES
CC(C)(C(C)(C)O)O
InChI
InChI=1S/C6H14O2/c1-5(2,7)6(3,4)8/h7-8H,1-4H3
InChIKey
IVDFJHOHABJVEH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pinacol
CAS: 76-09-5
CID: 6425
Formula: C6H14O2
MW: 118.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight118.17
XLogP30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass118.099379685
Monoisotopic Mass118.099379685
Topological Polar Surface Area40.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity72.5
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