Isohexanol

Isohexanol^[1]
Names
	Preferred IUPAC name 4-Methylpentan-1-ol
	Other names 4-Methyl-1-pentanol; Isohexyl alcohol
Identifiers
CAS Number	626-89-1 =;
3D model (JSmol)	Interactive image;
Beilstein Reference	1731303
ChEBI	CHEBI:63910 ;
ChEMBL	ChEMBL2260955;
ChemSpider	11793 ;
ECHA InfoCard	100.009.973
EC Number	210-969-3;
PubChem CID	12296;
UNII	X796XFP7D4;
CompTox Dashboard (EPA)	DTXSID0044313;
	InChI InChI=1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3 Key: PCWGTDULNUVNBN-UHFFFAOYSA-N ; InChI=1/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3 Key: PCWGTDULNUVNBN-UHFFFAOYAC;
	SMILES OCCCC(C)C;
Properties
Chemical formula	C6H14O
Molar mass	102.174 g/mol
Appearance	colorless liquid
Density	0.8131 g/cm3 at 20 °C
Boiling point	151.9 °C (305.4 °F; 425.0 K)
Solubility in water	7.6 g/L
Solubility	soluble in ethanol, diethyl ether
Hazards
	GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H226, H302, H311, H331
Precautionary statements	P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P340, P311, P312, P321, P322, P330, P361, P363, P370+P378, P403+P233, P403+P235, P405, P501
Related compounds
Related compounds	Hexanol
	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

Isohexanol (IUPAC name: 4-methylpentan-1-ol; also called isohexyl alcohol or 4-methyl-1-pentanol) is an organic chemical compound. It is found in longan fruit.^[2]

References

^ Lide, David R. (1998), Handbook of Chemistry and Physics (87 ed.), Boca Raton, Florida: CRC Press, pp. 3–398, 8–106, ISBN 0-8493-0594-2
^ Contis, Ellene Tratras (1998), Food flavors: formation, analysis, and packaging influences : proceedings of the 9th International Flavor Conference, the George Charalambous Memorial Symposium, Limnos, Greece, 1-4 July 1997, Elsevier, p. 362, ISBN 978-0-444-82590-2, retrieved 17 January 2010

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[hand-1] Lide, David R. (1998), Handbook of Chemistry and Physics (87 ed.), Boca Raton, Florida: CRC Press, pp. 3–398, 8–106, ISBN 0-8493-0594-2

[ff-2] Contis, Ellene Tratras (1998), Food flavors: formation, analysis, and packaging influences : proceedings of the 9th International Flavor Conference, the George Charalambous Memorial Symposium, Limnos, Greece, 1-4 July 1997, Elsevier, p. 362, ISBN 978-0-444-82590-2, retrieved 17 January 2010

[1]

[2]

Names


Preferred IUPAC name 4-Methylpentan-1-ol
Other names 4-Methyl-1-pentanol Isohexyl alcohol
Identifiers
CAS Number	626-89-1^N=
3D model (JSmol)	Interactive image
Beilstein Reference	1731303
ChEBI	CHEBI:63910^N
ChEMBL	ChEMBL2260955
ChemSpider	11793^Y
ECHA InfoCard	100.009.973
EC Number	210-969-3
PubChem CID	12296
UNII	X796XFP7D4
CompTox Dashboard (EPA)	DTXSID0044313
InChI InChI=1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3^Y Key: PCWGTDULNUVNBN-UHFFFAOYSA-N^Y InChI=1/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3 Key: PCWGTDULNUVNBN-UHFFFAOYAC
SMILES OCCCC(C)C
Properties
Chemical formula	C₆H₁₄O
Molar mass	102.174 g/mol
Appearance	colorless liquid
Density	0.8131 g/cm³ at 20 °C
Boiling point	151.9 °C (305.4 °F; 425.0 K)
Solubility in water	7.6 g/L
Solubility	soluble in ethanol, diethyl ether
Hazards
GHS labelling:
Pictograms
Signal word	Danger
Hazard statements	H226, H302, H311, H331
Precautionary statements	P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P340, P311, P312, P321, P322, P330, P361, P363, P370+P378, P403+P233, P403+P235, P405, P501
Related compounds
Related compounds	Hexanol
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

Isohexanol

References

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