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N-Butyl acetate 99%

CAT: 0286-B27020-01Size: 1000 mLDry Ice: NoHazardous: Yes
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CAT#:0286-B27020-01Size:1000 mL
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CAS Number
123-86-4
Synonyms
Acetic acid n-butyl ester
UN Code
UN1123
Pictogram
02 - Flammable; 07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00009445
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; H335 May cause respiratory irritation; H336 May cause drowsiness or dizziness.
Other Statements
EUH018 In use may form flammable/explosive vapour-air mixture
DOT Name
Butyl Acetates
DOT Classification
Class 3
Packaging Group
PGII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P240 Ground/bond container and receiving equipment; P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P271 Use only outdoors or in a well-ventilated area; 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; P403+P235 Store in a well-ventilated place. Keep cool.

Chemical Information

Butyl Acetate

Butyl acetate is the acetate ester of butanol. It has a role as a metabolite. It is functionally related to a butan-1-ol.

CAS Number123-86-4
PubChem CID31272
IUPAC Namebutyl acetate
Molecular FormulaC6H12O2
Molecular Weight116.16
XLogP1.8
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count8
Formal Charge0
Complexity68
SMILES
CCCCOC(=O)C
InChI
InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3
InChIKey
DKPFZGUDAPQIHT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Butyl Acetate
CAS: 123-86-4
CID: 31272
Formula: C6H12O2
MW: 116.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight116.16
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass116.083729621
Monoisotopic Mass116.083729621
Topological Polar Surface Area26.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity68.9
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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