Ethyl butyrate-d3

CAT: 0024-sc-497057ASize: 25 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-497057ASize:25 mg

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CAS Number

113435-99-7

Chemical Information

Ethyl Butyrate-d3

CAS Number	113435-99-7
PubChem CID	12254374
IUPAC Name	ethyl 4,4,4-trideuteriobutanoate
Molecular Formula	C6H12O2
Molecular Weight	119.18
XLogP	1.3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	8
Formal Charge	0
Complexity	68

SMILES

[2H]C([2H])([2H])CCC(=O)OCC

InChI

InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3/i1D3

InChIKey

OBNCKNCVKJNDBV-FIBGUPNXSA-N

Chemical Structure

2D Structure

CAS: 113435-99-7

CID: 12254374

Formula: C6H12O2

MW: 119.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	119.18
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	119.102559859
Monoisotopic Mass	119.102559859
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	68.9
Isotope Atom Count	3
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-214986	Ethyl butyrate
sc-482563	Methyl-d3 butyrate
sc-497059	Ethyl-d5 butyrate
sc-337818	Ethyl alfa-amino butyrate
sc-211462	Ethyl 3-Oxo-4- (triphenylphosphoranylidene) butyrate
sc-279062	Ethyl 2-isocyanato-4- (methylthio) butyrate
sc-499026	Ethyl propionylacetate-d3
sc-497296	Ethyl acetate-d3
sc-497979	Ethyl 2-Methylbutyrate-D3
sc-496776	N-Ethyl-d3 Maleimide

Catalog	Name
164104	Ethyl Butyrate-d3
FE156672-01	Ethyl butyrate
TRC-E900693-250MG	Ethyl-d5 Butyrate
E06220-01	Ethyl butyrate 98%
14910-92	Ethyl n-Butyrate
E945764	Ethyl 3-Hydroxy-3-methyl-d3-butyrate-4,4,4-d3
RM-E080101-01	Ethyl Butyrate Impurity 1
084525-01	Ethyl Butyrate 98.0%
RM-E080100-01	Ethyl Butyrate, Standard For Gc
1146E 00500	Ethyl Butyrate 98.5%