3-Methyl-3-Octanol

• CAS: 5340-36-3
• Catalog Number: ACM5340363
• Category: Alcohols
• Molecular Weight: 144.25
• Molecular Formula: C9H20O
• Synonyms: Amylethylmethylcarbinol, 3-Octanol, 3-methyl-, 2-Ethyl-2-heptanol, 3-Methyloctan-3-ol, 3-METHYL-3-OCTANOL, Aprol 161, NSC903, NSC 903, 533890_ALDRICH, EINECS 226-276-4, MolPort-003-913-302, CID21432, BRN 1733747, AI3-24904, LS-98021, ST5410366, 4-01-00-01807 (Beilstein Handbook Reference), 5340-36-3, 138051-58-8
• IUPAC Name: 3-methyloctan-3-ol
• Canonical SMILES: CCCCCC(C)(CC)O
• InChI Key: JEWXYDDSLPIBBO-UHFFFAOYSA-N
• Boiling Point: 127ºC
• Flash Point: 71.1ºC
• Density: 0.825g/cm³
• EC Number: 226-276-4
• Exact Mass: 144.15100
• Hazard Statements: H302-H318
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• RIDADR: NONH for all modes of transport
• Safety Description: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .; S36:Wear suitable protective clothing .
• Symbol: GHS05
• WGK Germany: 2

Custom Q&A

What is the molecular formula of 3-Methyl-3-octanol?

The molecular formula of 3-Methyl-3-octanol is C9H20O.

What is the molecular weight of 3-Methyl-3-octanol?

The molecular weight of 3-Methyl-3-octanol is 144.25 g/mol.

What is the IUPAC name of 3-Methyl-3-octanol?

The IUPAC name of 3-Methyl-3-octanol is 3-methyloctan-3-ol.

What is the InChI of 3-Methyl-3-octanol?

The InChI of 3-Methyl-3-octanol is InChI=1S/C9H20O/c1-4-6-7-8-9(3,10)5-2/h10H,4-8H2,1-3H3.

What is the InChIKey of 3-Methyl-3-octanol?

The InChIKey of 3-Methyl-3-octanol is JEWXYDDSLPIBBO-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Methyl-3-octanol?

The canonical SMILES of 3-Methyl-3-octanol is CCCCCC(C)(CC)O.

What is the CAS number of 3-Methyl-3-octanol?

The CAS number of 3-Methyl-3-octanol is 5340-36-3.

What is the UNII of 3-Methyl-3-octanol?

The UNII of 3-Methyl-3-octanol is 519R9981PM.

What is the XLogP3-AA value of 3-Methyl-3-octanol?

The XLogP3-AA value of 3-Methyl-3-octanol is 3.

How many hydrogen bond donor counts does 3-Methyl-3-octanol have?

3-Methyl-3-octanol has 1 hydrogen bond donor count.