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Home › Product Catalog › 1-Hexanol (Hexyl alcohol)

1-Hexanol (Hexyl alcohol)

CAS 111-27-3C6H14OMW 102.10 g/mol

1-Hexanol (Hexyl alcohol) (CAS 111-27-3) — formula C6H14O, molecular weight 102.10 g/mol.

Specifications

CAS Number111-27-3
Molecular FormulaC6H14O
Molecular Weight102.10 g/mol
Melting Point-48.3 °F (USCG, 1999)
Boiling Point314.8 °F at 760 mmHg (USCG, 1999)
LogP2

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What this product is

1-Hexanol (Hexyl alcohol) is a chemical compound with CAS registry number 111-27-3 and molecular formula C6H14O (molecular weight 102.10 g/mol).

Identification

CAS number: 111-27-3

Its molecular formula C6H14O comprises 6 C, 14 H, 1 O atoms.

Also known as: 1-Hexanol (Hexyl alcohol) · Hexanol

Frequently Asked Questions

What is the CAS number of 1-Hexanol (Hexyl alcohol)?

The CAS registry number of 1-Hexanol (Hexyl alcohol) is 111-27-3.

What is the molecular formula and molecular weight of 1-Hexanol (Hexyl alcohol)?

Molecular formula C6H14O, molecular weight 102.10 g/mol.

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

It is also registered under: 1-Hexanol (Hexyl alcohol), Hexanol.

PubChem Public Data

Public-database records for 1-Hexanol (Hexyl alcohol) (CAS 111-27-3), reproduced here for independent cross-checking.

Safety classification and hazard statements

Reported hazard statementsH302, H226 (34.3%), H312 (23.3%), H319 (35.5%), H315

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Regulatory listings

Regulatory & Food ContactEU 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

Physical description and 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

Reported physical properties

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

How this substance is indexed

CAS Registry Number111-27-3
PubChem CID8103
分子式C6H14O
分子量102.10 g/mol
IUPAC 名称hexan-1-ol
InChIKeyZSIAUFGUXNUGDI-UHFFFAOYSA-N
UNII（FDA）6CP2QER8GS
ChEBI 编号CHEBI:87393
FEMA 编号2567
JECFA 编号91

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

Names this substance appears under

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

Computed molecular descriptors

分子量102.17
XLogP32
氢键供体数1
氢键受体数1
可旋转键数4
精确质量102.104465066
单同位素质量102.104465066
拓扑极性表面积20.2
重原子数7
形式电荷0

Database abstract

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

Source: PubChem / Wikidata; the batch COA governs where values differ.

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