2-Hydroxyethyl Acetate

CAT: 1299-RG-A261145-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A261145-03Size:50 mg

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CAS Number

542-59-6

Synonyms

2-hydroxyethyl acetate

Molecular Formula

C4H8O3

Molecular Weight

104.11

Product Name Synonym

2-hydroxyethyl acetate

Chemical Information

Glycol monoacetate

Almost odorless clear colorless liquid. (NTP, 1992)

CAS Number	542-59-6
PubChem CID	10960
IUPAC Name	2-hydroxyethyl acetate
Molecular Formula	C4H8O3
Molecular Weight	104.10
XLogP	-0.6
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	7
Formal Charge	0
Complexity	60

SMILES

CC(=O)OCCO

InChI

InChI=1S/C4H8O3/c1-4(6)7-3-2-5/h5H,2-3H2,1H3

InChIKey

HXDLWJWIAHWIKI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 542-59-6

CID: 10960

Formula: C4H8O3

MW: 104.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	104.10
XLogP3	-0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	104.047344113
Monoisotopic Mass	104.047344113
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	60
Isotope Atom Count	0
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

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Catalog	Name
AAA54259	2-hydroxyethyl acetate
H11632-01	2-Hydroxyethyl acetate Tech. Grade
OR1072302-01	4- (2-Hydroxyethyl) phenyl acetate
LCA14695-01	Methyl 2-[ (2-hydroxyethyl) sulfanyl]acetate
CKB86413-01	Methyl 2-[ (2-hydroxyethyl) disulfanyl]acetate
NCA96986-01	Ethyl 2-[2- (2-hydroxyethyl) phenyl]acetate
OR1072843-01	Tert-Butyl 2- ((2-hydroxyethyl) amino) acetate
RCA93771-01	Tert-Butyl 2-[ (2-hydroxyethyl) amino]acetate
FWB61015-01	Propan-2-yl 2-[ (2-hydroxyethyl) sulfanyl]acetate
sc-335227	2-hydroxyethyl [ (4-methylphenyl) amino] (oxo) acetate