1-Methoxy-2-butanol

• CAS: 53778-73-7
• Catalog Number: ACM53778737
• Category: Alcohols
• Molecular Weight: 104.15
• Molecular Formula: C₅H₁₂O₂
• Synonyms: 1-Methoxybutan-2-ol, 2-Butanol, 1-methoxy-, 1-METHOXY-2-BUTANOL, Ambsda500013087, EINECS 258-763-2, 479756_ALDRICH, CSZZMFWKAQEMPB-UHFFFAOYSA-, MolPort-001-791-933, CID40895, 1,2-Butanediol 1-Monomethyl Ether, LS-46561, M0747, InChI=1/C5H12O2/c1-3-5(6)4-7-2/h5-6H,3-4H2,1-2H3, 133964-14-4, 53778-73-7, 84376-62-5
• IUPAC Name: 1-methoxybutan-2-ol
• Canonical SMILES: CCC(COC)O
• InChI Key: CSZZMFWKAQEMPB-UHFFFAOYSA-N
• Boiling Point: 133-135ºC(lit.)
• Flash Point: 103 °F
• Density: 0.906 g/mL at 25ºC(lit.)
• EC Number: 258-763-2
• Exact Mass: 104.08400
• Hazard Statements: H226-H302-H315-H318-H335
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• RIDADR: UN1105 - class 3 - PG 2 - Pentanols
• Safety Description: 16
• Symbol: GHS02

Custom Q&A

What is the molecular formula of 1-Methoxy-2-butanol?

The molecular formula of 1-Methoxy-2-butanol is C5H12O2.

What is the molecular weight of 1-Methoxy-2-butanol?

The molecular weight of 1-Methoxy-2-butanol is 104.15 g/mol.

What is the IUPAC name of 1-Methoxy-2-butanol?

The IUPAC name of 1-Methoxy-2-butanol is 1-methoxybutan-2-ol.

What is the InChI of 1-Methoxy-2-butanol?

The InChI of 1-Methoxy-2-butanol is InChI=1S/C5H12O2/c1-3-5(6)4-7-2/h5-6H,3-4H2,1-2H3.

What is the InChIKey of 1-Methoxy-2-butanol?

The InChIKey of 1-Methoxy-2-butanol is CSZZMFWKAQEMPB-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Methoxy-2-butanol?

The canonical SMILES of 1-Methoxy-2-butanol is CCC(COC)O.

What is the CAS number of 1-Methoxy-2-butanol?

The CAS number of 1-Methoxy-2-butanol is 53778-73-7.

What is the XLogP3-AA value of 1-Methoxy-2-butanol?

The XLogP3-AA value of 1-Methoxy-2-butanol is 0.4.

How many hydrogen bond donor counts does 1-Methoxy-2-butanol have?

1-Methoxy-2-butanol has 1 hydrogen bond donor count.

How many heavy atom counts does 1-Methoxy-2-butanol have?

1-Methoxy-2-butanol has 7 heavy atom counts.