| CAS Number | 7521-79-1 |
| Catalog Number | AG005YOM(AGN-PC-0JSD6Y) |
| Chemical Name | 2-(3-Methylbutoxy)ethan-1-ol |
| IUPAC Name | 2-(3-methylbutoxy)ethanol |
| InChI | InChI=1S/C7H16O2/c1-7(2)3-5-9-6-4-8/h7-8H,3-6H2,1-2H3 |
| InChI Key | NCHBYORVPVDWBJ-UHFFFAOYSA-N |
| MDL Number | MFCD12545833 |
| Molecular Formula | C7H16O2 |
| Molecular Weight | 132.2007 |
| SMILES | CC(CCOCCO)C |
| Synonyms | 2-(3-methylbutoxy)ethan-1-ol,
Isoamyl cellosolve,
7521-79-1,
Ethanol, 2-(3-methylbutoxy)-,
2-(3-methylbutoxy)ethanol,
2-Isopentoxyethanol,
AC1Q1PHE,
AC1LB1J2,
2-(3-methyl-butoxy)ethanol,
SCHEMBL104005,
CTK2G9288,
DTXSID60335749,
ZINC32164664,
AKOS010146913,
MCULE-2905905370,
NE20037,
EN300-51079,
F2148-1935,
Z1245634061,
CID526908,
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| Complexity | 52.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 132.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 132.203g/mol |
| Monoisotopic Mass | 132.115g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number