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Ethyl decanoate

CAT: 0286-E07200Size: 100 gDry Ice: NoHazardous: No
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CAT#:0286-E07200Size:100 g
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CAS Number
110-38-3
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00009581
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes 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

Ethyl caprate

Ethyl decanoate is a fatty acid ethyl ester of decanoic acid. It has a role as a metabolite. It is a fatty acid ethyl ester and a decanoate ester.

CAS Number110-38-3
PubChem CID8048
IUPAC Nameethyl decanoate
Molecular FormulaC12H24O2
Molecular Weight200.32
XLogP4.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Heavy Atom Count14
Formal Charge0
Complexity132
SMILES
CCCCCCCCCC(=O)OCC
InChI
InChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3
InChIKey
RGXWDWUGBIJHDO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl caprate
CAS: 110-38-3
CID: 8048
Formula: C12H24O2
MW: 200.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight200.32
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Exact Mass200.177630004
Monoisotopic Mass200.177630004
Topological Polar Surface Area26.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity132
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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