5-Methyl-1-hexanol

• CAS: 627-98-5
• Catalog Number: ACM627985
• Category: Aryl
• Molecular Weight: 116.20g/mol
• Molecular Formula: C7H16O;C7H16O
• Description: Iso heptyl alcohol appears as a clear colorless liquid with a pleasant odor. Less dense than water and insoluble in water. Vapors heavier than air. Used to make other chemicals, as a solvent, and in cosmetic formulations.
• Synonyms: 5-Methylhexan-1-ol;5-METHYL-1-HEXANOL;627-98-5;5-methylhexanol;Isoheptanol;Isoheptan-1-ol;1-Hexanol, 5-methyl-;51774-11-9;5-Methyl-hexan-1-ol;UNII-1PLY0QE25K;1PLY0QE25K;UNII-Q766MX3689;MFCD00072703;Q766MX3689;EINECS 257-413-6;isoheptyl alcohol;EINECS 211-023-2;5-Methylhexanol-[d7];ACMC-1AXQ8;Isoheptanol (mixed isomers);5-Methyl-1-hexanol, 97%;SCHEMBL104527;DTXSID4075326;ZINC2031628;GEO-01853;AKOS009156368;FS-5402;SY083602;BB 0258104;FT-0671815;FT-0671816;R1957;W-109236
• IUPAC Name: 5-methylhexan-1-ol
• Canonical SMILES: CC(C)CCCCO
• InChI: InChI=1S/C7H16O/c1-7(2)5-3-4-6-8/h7-8H,3-6H2,1-2H3
• InChI Key: ZVHAANQOQZVVFD-UHFFFAOYSA-N
• Boiling Point: 170.0 °C
• Complexity: 41.7
• Covalently-Bonded Unit Count: 1
• EC Number: 211-023-2;257-413-6
• Exact Mass: 116.120115130g/mol
• Hazard Statements: H314-H317
• Heavy Atom Count: 8
• Hydrogen Bond Acceptor Count: 1
• Monoisotopic Mass: 116.120115130g/mol
• RIDADR: UN 1987C 3 / PGIII
• Rotatable Bond Count: 4
• Symbol: GHS05
• Topological Polar Surface Area: 20.2Ų
• UNII: Q766MX3689;1PLY0QE25K
• XLogP3: 2.1

Custom Q&A

What is the molecular formula of 5-Methyl-1-hexanol?

The molecular formula of 5-Methyl-1-hexanol is C7H16O.

What is the molecular weight of 5-Methyl-1-hexanol?

The molecular weight of 5-Methyl-1-hexanol is 116.20 g/mol.

Is 5-Methyl-1-hexanol soluble in water?

No, 5-Methyl-1-hexanol is insoluble in water.

What are some synonyms for 5-Methyl-1-hexanol?

Some synonyms for 5-Methyl-1-hexanol are 5-METHYL-1-HEXANOL, 5-Methylhexan-1-ol, and Isoheptanol.

What is the IUPAC name of 5-Methyl-1-hexanol?

The IUPAC name of 5-Methyl-1-hexanol is 5-methylhexan-1-ol.

What is the InChIKey of 5-Methyl-1-hexanol?

The InChIKey of 5-Methyl-1-hexanol is ZVHAANQOQZVVFD-UHFFFAOYSA-N.

What is the CAS number of 5-Methyl-1-hexanol?

The CAS number of 5-Methyl-1-hexanol is 51774-11-9.

What is the XLogP3-AA value of 5-Methyl-1-hexanol?

The XLogP3-AA value of 5-Methyl-1-hexanol is 2.1.

How many hydrogen bond donor counts does 5-Methyl-1-hexanol have?

5-Methyl-1-hexanol has 1 hydrogen bond donor count.

What is the topological polar surface area of 5-Methyl-1-hexanol?

The topological polar surface area of 5-Methyl-1-hexanol is 20.2Ų.