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Isohexanol

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(Redirected from 4-Methyl-1-pentanol)
Isohexanol
Names
Preferred IUPAC name 4-Methylpentan-1-ol
Other names 4-Methyl-1-pentanol
Isohexyl alcohol
Identifiers
CAS Number
3D model (JSmol)
Beilstein Reference 1731303
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard 100.009.973 Edit this at Wikidata
EC Number
  • 210-969-3
PubChem CID
UNII
CompTox Dashboard (EPA)
InChI
  • InChI=1S/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3Key: PCWGTDULNUVNBN-UHFFFAOYSA-N
  • InChI=1/C6H14O/c1-6(2)4-3-5-7/h6-7H,3-5H2,1-2H3Key: PCWGTDULNUVNBN-UHFFFAOYAC
SMILES
  • OCCCC(C)C
Properties
Chemical formula C6H14O
Molar mass 102.174 g/mol
Appearance colorless liquid
Density 0.8131 g/cm 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 GHS02: FlammableGHS06: ToxicGHS07: Exclamation mark
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 , 100 kPa). ☒N verify (what is  ?) Infobox references
Chemical compound

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.

References

  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
  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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