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1,2-Butanediol 98%

CAT: 0286-B25910-02Size: 1000 gDry Ice: NoHazardous: No
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CAT#:0286-B25910-02Size:1000 g
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CAS Number
584-03-2
Synonyms
1,2-Butylene glycol; 1,2-Dihydroxybutane
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00004570
Hazard Statement
H227 Combustible liquid; 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
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; 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

1,2-Butanediol

Butane-1,2-diol is a butanediol in which the two hydroxy groups are located at positions 1 and 2. It has a role as a metabolite. It is a glycol and a butanediol.

CAS Number584-03-2
PubChem CID11429
IUPAC Namebutane-1,2-diol
Molecular FormulaC4H10O2
Molecular Weight90.12
XLogP-0.2
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity28
SMILES
CCC(CO)O
InChI
InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3
InChIKey
BMRWNKZVCUKKSR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Butanediol
CAS: 584-03-2
CID: 11429
Formula: C4H10O2
MW: 90.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight90.12
XLogP3-0.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass90.068079557
Monoisotopic Mass90.068079557
Topological Polar Surface Area40.5 Ų
Heavy Atom Count6
Formal Charge0
Complexity28.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes