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2,3-Butanediol 97%

CAT: 0286-B25940-02Size: 500 gDry Ice: NoHazardous: No
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CAT#:0286-B25940-02Size:500 g
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CAS Number
513-85-9
Synonyms
2,3-Butyleneglycol; w-Butylene glycol; 2,3-Dihydroxybutane
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00004523
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

2,3-Butanediol

Butane-2,3-diol is a butanediol in which hydroxylation is at C-2 and C-3. It is a glycol, a secondary alcohol and a butanediol.

CAS Number513-85-9
PubChem CID262
IUPAC Namebutane-2,3-diol
Molecular FormulaC4H10O2
Molecular Weight90.12
XLogP-0.9
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity30
SMILES
CC(C(C)O)O
InChI
InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3
InChIKey
OWBTYPJTUOEWEK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Butanediol
CAS: 513-85-9
CID: 262
Formula: C4H10O2
MW: 90.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight90.12
XLogP3-0.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass90.068079557
Monoisotopic Mass90.068079557
Topological Polar Surface Area40.5 Ų
Heavy Atom Count6
Formal Charge0
Complexity30.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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