八氢香豆素

Description

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.

Identification

CAS Registry Number	4430-31-3
PubChem CID	20487
Molecular formula	C9H14O2
Molecular weight	154.10 g/mol
IUPAC name	3,4,4a,5,6,7,8,8a-octahydrochromen-2-one
InChIKey	MSFLYJIWLHSQLG-UHFFFAOYSA-N
UNII (FDA)	H6VNF31DVW
ChEBI ID	CHEBI:180439
FEMA number	3791
JECFA number	1166

Computed Descriptors

Molecular Weight	154.21
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	154.099379685
Monoisotopic Mass	154.099379685
Topological Polar Surface Area	26.3
Heavy Atom Count	11
Formal Charge	0

Physical & Chemical Properties

Boiling Point	144.00 to 146.00 °C. @ 16.00 mm Hg
Boiling Point	293-298 °C
Density	1.089-1.096
LogP	2.520
Refractive Index	1.489-1.493

Physical description & handling notes

• CBI; Liquid
• Colourless liquid; slight spicy note
• Insoluble in water; soluble in oils
• soluble (in ethanol)

Regulatory Status

Regulatory & Food Contact	EU 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 summary	14.7% (243 / 1651)

GHS Hazard Classification

GHS notification summary	14.7% (243 / 1651)
Reported hazard statements	H319 (78%)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Information on 10 consumer products that contain Octahydrocoumarin in the following categories is provided:
• All Other Chemical Product and Preparation Manufacturing
• Other (requires additional information)
• Soap, Cleaning Compound, and Toilet Preparation Manufacturing

Synonyms

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]

Frequently Asked Questions

What are the CAS number and molecular formula of Octahydrocoumarin?

CAS 4430-31-3; molecular formula C9H14O2; molecular weight 154.10 g/mol.

What other names is Octahydrocoumarin known by?

Octahydrocoumarin, 4430-31-3, Octahydro-2H-1-benzopyran-2-one, Bicyclononalactone, Cyclohexyllactone, Cyclohexyl lactone.

What is the regulatory status of Octahydrocoumarin?

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

Is Octahydrocoumarin classified as hazardous?

14.7% of GHS notifications report no hazard classification (243 of 1651).

What are the key physical properties of Octahydrocoumarin?

Boiling Point: 144.00 to 146.00 °C. @ 16.00 mm Hg; Boiling Point: 293-298 °C; Density: 1.089-1.096; LogP: 2.520.

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.