1-Hexanol (Hexyl alcohol)

Description

1-Hexanol (Hexyl alcohol) is identified by CAS 111-27-3, molecular formula C6H14O and molecular weight 102.10 g/mol. UNII 6CP2QER8GS; ChEBI 87393; InChIKey ZSIAUFGUXNUGDI-UHFFFAOYSA-N. Boiling Point: 314.8 °F at 760 mmHg (USCG, 1999); Boiling Point: 157 °C at 760 mm Hg; Boiling Point: 156.00 to 157.00 °C. @ 760.00 mm Hg.

Identification

CAS Registry Number	111-27-3
PubChem CID	8103
Molecular formula	C6H14O
Molecular weight	102.10 g/mol
IUPAC name	hexan-1-ol
InChIKey	ZSIAUFGUXNUGDI-UHFFFAOYSA-N
UNII (FDA)	6CP2QER8GS
ChEBI ID	CHEBI:87393
FEMA number	2567
JECFA number	91

Computed Descriptors

Molecular Weight	102.17
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	102.104465066
Monoisotopic Mass	102.104465066
Topological Polar Surface Area	20.2
Heavy Atom Count	7
Formal Charge	0

Physical & Chemical Properties

Boiling Point	314.8 °F at 760 mmHg (USCG, 1999)
Boiling Point	157 °C at 760 mm Hg
Boiling Point	156.00 to 157.00 °C. @ 760.00 mm Hg
Boiling Point	157 °C
Boiling Point	157.2 °C @760 [mm Hg]
Melting Point	-48.3 °F (USCG, 1999)
Melting Point	-44.6 °C
Melting Point	-46.7 °C
Flash Point	145 °F (USCG, 1999)
Flash Point	73.9 °C (Open cup)

Physical description & handling notes

• Hexanols appears as a clear colorless liquid mixture of isomeric six-carbon alcohols with similar chemical properties. Vapors are heavier than air. Used to make pharmaceuticals and as a solvent.
• N-hexanol appears as a clear colorless liquid. Flash point 149 °F. Less dense than water and insoluble in water. Vapors heavier than air.
• Liquid
• Colorless liquid with a fruity odor; [CHEMINFO]
• COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.
• colourless, mobile liquid/mild, sweet, green

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Banana, Flower, Grass, Herb No safety concern at current levels of intake when used as a flavouring agent

GHS Hazard Classification

Reported hazard statements	H302, H226 (34.3%), H312 (23.3%), H319 (35.5%), H315

Documented Uses

• Used to produce plasticizers, antiseptics, fragrances, pharmaceuticals, and finishing agents for textile and leather; Used as a flavoring agent and a solvent for fats, waxes, dyes, and paints; [CHEMINFO]
• Painting (Solvents) [Category: Paint]
• Pharmaceuticals (introduction of hexyl group into hyponics, antiseptics, perfume esters, etc), solvent, plasticizer, intermediate for textile and leather finishing agents.
• For more Uses (Complete) data for 1-HEXANOL (12 total), please visit the HSDB record page.
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index

Synonyms

1-Hexanol; Hexyl alcohol; Hexan-1-ol; 111-27-3; n-Hexanol; n-Hexyl alcohol; Amylcarbinol; 1-Hydroxyhexane; Caproyl alcohol; 1-Hexyl alcohol; Pentylcarbinol; n-Hexan-1-ol; Caproic alcohol; C6 alcohol; Alcohol(C6); EPAL 6

Frequently Asked Questions

What are the CAS number and molecular formula of 1-Hexanol (Hexyl alcohol)?

CAS 111-27-3; molecular formula C6H14O; molecular weight 102.10 g/mol.

What other names is 1-Hexanol (Hexyl alcohol) known by?

1-Hexanol, Hexyl alcohol, Hexan-1-ol, 111-27-3, n-Hexanol, n-Hexyl alcohol.

What is the regulatory status of 1-Hexanol (Hexyl alcohol)?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is 1-Hexanol (Hexyl alcohol) classified as hazardous?

Hazard statements reported: H302, H226, H312, H319, H315.

What are the key physical properties of 1-Hexanol (Hexyl alcohol)?

Boiling Point: 314.8 °F at 760 mmHg (USCG, 1999); Boiling Point: 157 °C at 760 mm Hg; Boiling Point: 156.00 to 157.00 °C. @ 760.00 mm Hg; Boiling Point: 157 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.