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3-Hexyn-2-ol 97%

CAT: 0286-H06711-02Size: 25 gDry Ice: NoHazardous: Yes
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CAT#:0286-H06711-02Size:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
109-50-2
UN Code
UN1987
Pictogram
02 - Flammable; 09 - Environmental hazard
UDF Signal Word
Warning
MDL Number
MFCD00041586
Hazard Statement
H226 Flammable liquid and vapor; H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H410 Very toxic to aquatic life with long-lasting effects.
DOT Name
Alcohols, N.O.S.
DOT Classification
Class 3
Packaging Group
PGIII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P240 Ground/bond container and receiving equipment; P241 Use explosion-proof electrical/ventilating/lighting/[ ]/equipment; P242 Use only non-sparking tools; P273 Avoid release to the environment; 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

3-Hexyn-2-ol
CAS Number109-50-2
PubChem CID7990
IUPAC Namehex-3-yn-2-ol
Molecular FormulaC6H10O
Molecular Weight98.14
XLogP1
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity93
SMILES
CCC#CC(C)O
InChI
InChI=1S/C6H10O/c1-3-4-5-6(2)7/h6-7H,3H2,1-2H3
InChIKey
IFCAMPHNVKBSTF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hexyn-2-ol
CAS: 109-50-2
CID: 7990
Formula: C6H10O
MW: 98.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight98.14
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass98.073164938
Monoisotopic Mass98.073164938
Topological Polar Surface Area20.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity93.2
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

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