3-Ethyl-3-pentanol

• Catalog Number: ACM597499
• Product Name: 3-Ethyl-3-pentanol
• CAS: 597-49-9
• Category: Aryl
• Synonyms: Triethylcarbinol, Triethylmethanol, 3-Pentanol, 3-ethyl-, 3-Ethylpentan-3-ol, 3-ETHYL-3-PENTANOL, 3-Aethyl-pentanol-(3), 111570_ALDRICH, 3-Aethyl-pentanol-(3) [German], NSC25500, 04640_FLUKA, EINECS 209-902-0, NSC 25500, CID11702, BRN 1731643, ZINC01622056, AI3-30048, BBV-27279749, LS-101891, 4-01-00-01750 (Beilstein Handbook Reference), S14-1101
• IUPAC Name: 3-ethylpentan-3-ol
• Molecular Weight: 116.20
• Molecular Formula: C₇H₁₆O
• InChI Key: XKIRHOWVQWCYBT-UHFFFAOYSA-N
• Boiling Point: 146.6ºC at 760 mmHg
• Melting Point: -12.5ºC
• Flash Point: 40ºC
• Density: 0.824 g/mL at 25ºC(lit.)
• Appearance: clear colorless to slightly yellow liquid
• Exact Mass: 116.12000
• Hazard Statements: H302-H312-H314
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Packing Group: III
• RIDADR: UN 1987C 3 / PGIII
• Safety Description: S16:Keep away from sources of ignition - No smoking .
• Symbol: GHS05
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 3-Ethyl-3-pentanol?

The molecular formula of 3-Ethyl-3-pentanol is C7H16O.

What is the molecular weight of 3-Ethyl-3-pentanol?

The molecular weight of 3-Ethyl-3-pentanol is 116.20 g/mol.

What is the IUPAC name of 3-Ethyl-3-pentanol?

The IUPAC name of 3-Ethyl-3-pentanol is 3-ethylpentan-3-ol.

What is the InChI of 3-Ethyl-3-pentanol?

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

What is the InChIKey of 3-Ethyl-3-pentanol?

The InChIKey of 3-Ethyl-3-pentanol is XKIRHOWVQWCYBT-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Ethyl-3-pentanol?

The canonical SMILES of 3-Ethyl-3-pentanol is CCC(CC)(CC)O.

What is the CAS number of 3-Ethyl-3-pentanol?

The CAS number of 3-Ethyl-3-pentanol is 597-49-9.

What is the European Community (EC) number of 3-Ethyl-3-pentanol?

The European Community (EC) number of 3-Ethyl-3-pentanol is 209-902-0.

What is the UNII of 3-Ethyl-3-pentanol?

The UNII of 3-Ethyl-3-pentanol is 8P2O4Y3RTC.

Is 3-Ethyl-3-pentanol a canonicalized compound?

Yes, 3-Ethyl-3-pentanol is a canonicalized compound.