3-Methyl-3-octanol

3-Methyl-3-octanol^[1]
Names
	Preferred IUPAC name 3-Methyloctan-3-ol
	Other names Amylethylmethylcarbinol; 2-Ethyl-2-heptanol; 3-Methyloctan-3-ol
Identifiers
CAS Number	5340-36-3 ;
3D model (JSmol)	Interactive image; Interactive image;
ChemSpider	20143 ;
ECHA InfoCard	100.023.888
PubChem CID	21432;
UNII	519R9981PM ;
CompTox Dashboard (EPA)	DTXSID80884148 ;
	InChI InChI=1S/C9H20O/c1-4-6-7-8-9(3,10)5-2/h10H,4-8H2,1-3H3 Key: JEWXYDDSLPIBBO-UHFFFAOYSA-N ; InChI=1S/C9H20O/c1-4-6-7-8-9(3,10)5-2/h10H,4-8H2,1-3H3 Key: JEWXYDDSLPIBBO-UHFFFAOYSA-N; InChI=1/C9H20O/c1-4-6-7-8-9(3,10)5-2/h10H,4-8H2,1-3H3 Key: JEWXYDDSLPIBBO-UHFFFAOYAT;
	SMILES CCCCCC(C)(CC)O; OC(CC)(CCCCC)C;
Properties
Chemical formula	C9H20O
Molar mass	144.2545 g/mol
Density	0.822 g/mL
Boiling point	127 °C (261 °F; 400 K)
Hazards
Flash point	73 °C (163 °F; 346 K)
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

3-Methyl-3-octanol (systematically named 3-methyloctan-3-ol) is an organic compound with the chemical formula CH₃(CH₂)₄C(CH₃)(CH₂CH₃)OH (also written as C
₉H
₂₀O). This simple tertiary alcohol is a clear colourless liquid under standard conditions, and is tasteless.

It is used in the food industry as a flavouring agent as it contributes to the flavour of roast beef.^[3] It is known to be biochemically produced by the Antrodia camphorata fungus. 3-Methyl-3-octanol is a chiral compound, with each isomer yielding a different flavour.

References

^ Methyl n-amyl ketone, PubChem Database (NCBI/NIH)
^ 3-Methyl-3-Octanol, Sigma-Aldrich
^ Hsu, Chen-Ming; Peterson, Robert J.; Jin, Qi Zhang; Ho, Chi-Tang; Chang, Stephen S. (1 November 1982). "Characterization of new volatile compounds in the neutral fraction of roasted beef flavor". Journal of Food Science. 47 (6): 2068–2069. doi:10.1111/j.1365-2621.1982.tb12950.x.

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[1] Methyl n-amyl ketone, PubChem Database (NCBI/NIH)

[2] 3-Methyl-3-Octanol, Sigma-Aldrich

[Hsu1982-3] Hsu, Chen-Ming; Peterson, Robert J.; Jin, Qi Zhang; Ho, Chi-Tang; Chang, Stephen S. (1 November 1982). "Characterization of new volatile compounds in the neutral fraction of roasted beef flavor". Journal of Food Science. 47 (6): 2068–2069. doi:10.1111/j.1365-2621.1982.tb12950.x.

[1]

[2]

[3]

Names

Preferred IUPAC name 3-Methyloctan-3-ol
Other names Amylethylmethylcarbinol 2-Ethyl-2-heptanol 3-Methyloctan-3-ol
Identifiers
CAS Number	5340-36-3^Y
3D model (JSmol)	Interactive image Interactive image
ChemSpider	20143^Y
ECHA InfoCard	100.023.888
PubChem CID	21432
UNII	519R9981PM^Y
CompTox Dashboard (EPA)	DTXSID80884148
InChI InChI=1S/C9H20O/c1-4-6-7-8-9(3,10)5-2/h10H,4-8H2,1-3H3^Y Key: JEWXYDDSLPIBBO-UHFFFAOYSA-N^Y InChI=1S/C9H20O/c1-4-6-7-8-9(3,10)5-2/h10H,4-8H2,1-3H3 Key: JEWXYDDSLPIBBO-UHFFFAOYSA-N InChI=1/C9H20O/c1-4-6-7-8-9(3,10)5-2/h10H,4-8H2,1-3H3 Key: JEWXYDDSLPIBBO-UHFFFAOYAT
SMILES CCCCCC(C)(CC)O OC(CC)(CCCCC)C
Properties^[2]
Chemical formula	C₉H₂₀O
Molar mass	144.2545 g/mol
Density	0.822 g/mL
Boiling point	127 °C (261 °F; 400 K)
Hazards
Flash point	73 °C (163 °F; 346 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is ^YN ?) Infobox references