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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.

Product Overview

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

Technical Profile

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

Independent reference data for 1-Hexanol (Hexyl alcohol) (CAS 111-27-3), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number111-27-3
PubChem CID8103
Molecular formulaC6H14O
Molecular weight102.10 g/mol
IUPAC namehexan-1-ol
InChIKeyZSIAUFGUXNUGDI-UHFFFAOYSA-N
UNII (FDA)6CP2QER8GS
ChEBI IDCHEBI:87393
FEMA number2567
JECFA number91

Computed descriptors

Molecular Weight102.17
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass102.104465066
Monoisotopic Mass102.104465066
Topological Polar Surface Area20.2
Heavy Atom Count7

Physicochemical values on record

Boiling Point314.8 °F at 760 mmHg (USCG, 1999)
Boiling Point157 °C at 760 mm Hg
Boiling Point156.00 to 157.00 °C. @ 760.00 mm Hg
Boiling Point157 °C
Boiling Point157.2 °C @760 [mm Hg]
Melting Point-48.3 °F (USCG, 1999)
Melting Point-44.6 °C
Melting Point-46.7 °C
Flash Point145 °F (USCG, 1999)
Flash Point73.9 °C (Open cup)

Documented uses on record

    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]

    Synonyms and trade names

    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

    Regulatory listings held on file

    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

    GHS hazard classification

    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)

    What the public record says

    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.

    Physical description and handling notes

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

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