2-Methyl-2-hexanol

• CAS: 625-23-0
• Catalog Number: ACM625230
• Category: Aryl
• Molecular Weight: 116.20
• Molecular Formula: C₇H₁₆O
• Synonyms: Butyldimethylcarbinol, tert-Heptanol, 2-METHYL-2-HEXANOL, 2-Hexanol, 2-methyl-, 2-Methylhexan-2-ol, tert-HEPTYL ALCOHOL, tert-Heptanol (9CI), 111600_ALDRICH, NSC21977, CID12240, EINECS 210-881-5, NSC 21977, ZINC01589668, 2-Hexanol, 2-methyl- (8CI)(9CI), LS-74712, TL8004169, 625-23-0, 28929-86-4
• IUPAC Name: 2-methylhexan-2-ol
• Canonical SMILES: CCCCC(C)(C)O
• InChI Key: KRIMXCDMVRMCTC-UHFFFAOYSA-N
• Boiling Point: 141-142ºC(lit.)
• Flash Point: 105 °F
• Density: 0.812 g/mL at 25ºC(lit.)
• Appearance: CLEAR COLOURLESS TO LIGHT YELLOW LIQUID
• EC Number: 210-881-5
• Exact Mass: 116.12000
• Hazard Statements: H226-H332-H411
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Packing Group: III
• RIDADR: UN 2388 3 / PGII
• Safety Description: S16
• Symbol: GHS02
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 2-Methyl-2-hexanol?

The molecular formula of 2-Methyl-2-hexanol is C7H16O.

What is the molecular weight of 2-Methyl-2-hexanol?

The molecular weight of 2-Methyl-2-hexanol is 116.20 g/mol.

What is the IUPAC name of 2-Methyl-2-hexanol?

The IUPAC name of 2-Methyl-2-hexanol is 2-methylhexan-2-ol.

What is the InChI of 2-Methyl-2-hexanol?

The InChI of 2-Methyl-2-hexanol is InChI=1S/C7H16O/c1-4-5-6-7(2,3)8/h8H,4-6H2,1-3H3.

What is the InChIKey of 2-Methyl-2-hexanol?

The InChIKey of 2-Methyl-2-hexanol is KRIMXCDMVRMCTC-UHFFFAOYSA-N.

What is the Canonical SMILES of 2-Methyl-2-hexanol?

The Canonical SMILES of 2-Methyl-2-hexanol is CCCCC(C)(C)O.

What is the CAS number of 2-Methyl-2-hexanol?

The CAS number of 2-Methyl-2-hexanol is 625-23-0.

What is the UNII of 2-Methyl-2-hexanol?

The UNII of 2-Methyl-2-hexanol is F7VY9G4LKD.

What is the XLogP3-AA value of 2-Methyl-2-hexanol?

The XLogP3-AA value of 2-Methyl-2-hexanol is 2.

Is 2-Methyl-2-hexanol a canonicalized compound?

Yes, 2-Methyl-2-hexanol is a canonicalized compound.