1-Methoxy-2-Butanol

CAT: 0127-OR1009508-01Size: 25 mLDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1009508-01Size:25 mL

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

53778-73-7

MDL Number

MFCD00059143

Purity

93%

Smiles

CCC(O)COC

Chemical Information

2-Butanol, 1-methoxy-

CAS Number	53778-73-7
PubChem CID	40895
IUPAC Name	1-methoxybutan-2-ol
Molecular Formula	C5H12O2
Molecular Weight	104.15
XLogP	0.4
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	7
Formal Charge	0
Complexity	37

SMILES

CCC(COC)O

InChI

InChI=1S/C5H12O2/c1-3-5(6)4-7-2/h5-6H,3-4H2,1-2H3

InChIKey

CSZZMFWKAQEMPB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 53778-73-7

CID: 40895

Formula: C5H12O2

MW: 104.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	104.15
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	104.083729621
Monoisotopic Mass	104.083729621
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	37.1
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
QAA46725	2-Methoxy-1-butanol
sc-289183A	3-Methoxy-2-butanol
sc-231787	3-Methoxy-1-butanol
sc-267594	4-Methoxy-1-butanol
ETB33336-01	4-[ (Tributylstannyl) methoxy]-1-butanol
232005-01	3-Methoxy-2-butanol ≥97% (GC)
GCA53966-01	3-Methoxy-3-methyl-1-butanol
282999-01	2-Methyl-1-butanol
sc-281213	1-Amino-2-butanol
68741181-500g	2-Amino-1-butanol