Furaneol acetate

CAT: 0127-OR912574-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR912574-01Size:5 g

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CAS Number

4166-20-5

MDL Number

MFCD00799462

Purity

98%

Smiles

CC1OC(=C(OC(=O)C)C1=O)C

Chemical Information

4-acetoxy-2,5-dimethyl-3(2H)-furanone

Furaneol acetate is a member of oxolanes.

CAS Number	4166-20-5
PubChem CID	61334
IUPAC Name	(2,5-dimethyl-4-oxofuran-3-yl) acetate
Molecular Formula	C8H10O4
Molecular Weight	170.16
XLogP	0.8
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	264

SMILES

CC1C(=O)C(=C(O1)C)OC(=O)C

InChI

InChI=1S/C8H10O4/c1-4-7(10)8(5(2)11-4)12-6(3)9/h4H,1-3H3

InChIKey

VPKIUOQJQJVLRW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4166-20-5

CID: 61334

Formula: C8H10O4

MW: 170.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.16
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	170.05790880
Monoisotopic Mass	170.05790880
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	264
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP18052	Furaneol
OR912424-01	Ethyl furaneol
BIF0365	Furaneol (13C6)
OR1028489-01	?-Sitosterol Acetate (Contains Campesterol Acetate)
OR470597	3- (2-Piperidyl) propyl Acetate Acetate
OR470599	3- (4-Piperidyl) propyl Acetate Acetate
OR470598	3- (3-Piperidyl) propyl Acetate Acetate
BUP24131-01	Paramethasone Acetate
OR1075516	Resorufin acetate
OR1036473-01	Carbamothioylmethyl acetate

Catalog	Name
AR-F11076-01	Furaneol
HY-N7093R-01	Furaneol (Standard)
AR-F11075-01	Furaneol-13C2
GC3407-25mg	Furaneol β-D-glucopyranoside
MF30167-01	Furaneol beta-D-glucopyranoside
450987-01	Furaneol β-D-glucopyranoside Tetraacetate
V2124-50-01	Vitamin A Acetate (Retinol Acetate, Retinyl Acetate)
3121815	Cupric acetate (copper acetate)
RM-L052100-01	Leuprolide Acetate (Leuprorelin Acetate)
HY-166875S	Apramycin acetate-d7 (acetate)