Octahydrocoumarin

Name: Octahydrocoumarin
Brand: Jinan Shenghe Chemical Co., Ltd.
SKU: 160478

CAS 4430-31-3C9H14O2MW 154.10 g/mol

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

Specifications

CAS Number4430-31-3

Molecular FormulaC9H14O2

Molecular Weight154.10 g/mol

Boiling Point144.00 to 146.00 °C. @ 16.00 mm Hg

LogP2.520

Purchase 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

Public-database records for Octahydrocoumarin (CAS 4430-31-3), reproduced here for independent cross-checking.

Safety classification and hazard statements

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

Regulatory listings

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)

Physical description and handling notes

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

Reported physical properties

沸点	144.00 to 146.00 °C. @ 16.00 mm Hg
沸点	293-298 °C
密度	1.089-1.096
LogP	2.520
折射率	1.489-1.493

How this substance is indexed

CAS Registry Number	4430-31-3
PubChem CID	20487
分子式	C9H14O2
分子量	154.10 g/mol
IUPAC 名称	3,4,4a,5,6,7,8,8a-octahydrochromen-2-one
InChIKey	MSFLYJIWLHSQLG-UHFFFAOYSA-N
UNII（FDA）	H6VNF31DVW
ChEBI 编号	CHEBI:180439
FEMA 编号	3791
JECFA 编号	1166

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

Names this substance appears under

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]

Computed molecular descriptors

分子量	154.21
XLogP3	1.9
氢键供体数	0
氢键受体数	2
可旋转键数	0
精确质量	154.099379685
单同位素质量	154.099379685
拓扑极性表面积	26.3
重原子数	11
形式电荷	0

Database abstract

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. 沸点: 144.00 to 146.00 °C. @ 16.00 mm Hg; 沸点: 293-298 °C; 密度: 1.089-1.096.

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

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