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Octahydrocoumarin

CAS 4430-31-3C9H14O2MW 154.10 g/mol

Octahydrocoumarin (CAS 4430-31-3) — formula C9H14O2, molecular weight 154.10 g/mol.

Product Overview

CAS Number4430-31-3
Molecular FormulaC9H14O2
Molecular Weight154.10 g/mol
Boiling Point144.00 to 146.00 °C. @ 16.00 mm Hg
LogP2.520

Technical Profile

What this product is

Octahydrocoumarin is a chemical compound with CAS registry number 4430-31-3 and molecular formula C9H14O2 (molecular weight 154.10 g/mol).

Identification

CAS number: 4430-31-3

Its molecular formula C9H14O2 comprises 9 C, 14 H, 2 O atoms.

Also known as: Octahydrocoumarin · octahydro-2H-1-benzopyran-2-one

Frequently Asked Questions

What is the CAS number of Octahydrocoumarin?

The CAS registry number of Octahydrocoumarin is 4430-31-3.

What is the molecular formula and molecular weight of Octahydrocoumarin?

Molecular formula C9H14O2, molecular weight 154.10 g/mol.

What other names is Octahydrocoumarin known by?

It is also registered under: Octahydrocoumarin, octahydro-2H-1-benzopyran-2-one.

PubChem Public Data

Independent reference data for Octahydrocoumarin (CAS 4430-31-3), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number4430-31-3
PubChem CID20487
Molecular formulaC9H14O2
Molecular weight154.10 g/mol
IUPAC name3,4,4a,5,6,7,8,8a-octahydrochromen-2-one
InChIKeyMSFLYJIWLHSQLG-UHFFFAOYSA-N
UNII (FDA)H6VNF31DVW
ChEBI IDCHEBI:180439
FEMA number3791
JECFA number1166

Computed descriptors

Molecular Weight154.21
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass154.099379685
Monoisotopic Mass154.099379685
Topological Polar Surface Area26.3
Heavy Atom Count11

Physicochemical values on record

Boiling Point144.00 to 146.00 °C. @ 16.00 mm Hg
Boiling Point293-298 °C
Density1.089-1.096
LogP2.520
Refractive Index1.489-1.493

Documented uses on record

    Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional ClassesFlavoring Agents -> JECFA Flavorings Index

    Synonyms and trade names

    Octahydrocoumarin; 4430-31-3; Octahydro-2H-1-benzopyran-2-one; Bicyclononalactone; Cyclohexyllactone; Cyclohexyl lactone; 2H-1-Benzopyran-2-one, octahydro-; Octahydro-1-benzopyran-2-one; FEMA No. 3791; COUMARIN, OCTAHYDRO-; EINECS 224-623-4; AI3-28142; H6VNF31DVW; DTXSID7052105; RefChem:855864; OCTAHYDROCOUMARIN [FHFI]

    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
    Dairy
    No safety concern at current levels of intake when used as a flavouring agent
    GHS notification summary14.7% (243 / 1651)

    GHS hazard classification

    GHS notification summary14.7% (243 / 1651)
    Reported hazard statementsH319 (78%)

    This chemical does not meet GHS hazard criteria for 14.7% (243 of 1651) of reports.

    H319 (78%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

    What the public record says

    Octahydrocoumarin is identified by CAS 4430-31-3, molecular formula C9H14O2 and molecular weight 154.10 g/mol. UNII H6VNF31DVW; ChEBI 180439; InChIKey MSFLYJIWLHSQLG-UHFFFAOYSA-N. Boiling Point: 144.00 to 146.00 °C. @ 16.00 mm Hg; Boiling Point: 293-298 °C; Density: 1.089-1.096.

    Physical description and handling notes

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

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