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Hexyl formate 90%

CAT: 0286-H06280-01Size: 100 gDry Ice: NoHazardous: Yes
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CAT#:0286-H06280-01Size:100 g
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CAS Number
629-33-4
UN Code
UN3272
Pictogram
02 - Flammable; 07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00046146
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.
DOT Name
Esters, N.O.S.
DOT Classification
Class 3
Packaging Group
PGIII
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; P403+P235 Store in a well-ventilated place. Keep cool.

Chemical Information

Hexyl Formate

Hexyl formate is a carboxylic ester.

CAS Number629-33-4
PubChem CID61177
IUPAC Namehexyl formate
Molecular FormulaC7H14O2
Molecular Weight130.18
XLogP2.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count9
Formal Charge0
Complexity61
SMILES
CCCCCCOC=O
InChI
InChI=1S/C7H14O2/c1-2-3-4-5-6-9-7-8/h7H,2-6H2,1H3
InChIKey
OUGPMNMLWKSBRI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hexyl Formate
CAS: 629-33-4
CID: 61177
Formula: C7H14O2
MW: 130.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight130.18
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass130.099379685
Monoisotopic Mass130.099379685
Topological Polar Surface Area26.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity61.9
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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