HEXYL PROPIONATE

Description

HEXYL PROPIONATE is identified by CAS 2445-76-3, molecular formula C9H18O2 and molecular weight 158.13 g/mol. UNII 8R2W3UA8JV; ChEBI 87549; InChIKey GOKKOFHHJFGZHW-UHFFFAOYSA-N. Boiling Point: 73.00 to 74.00 °C. @ 10.00 mm Hg; Boiling Point: 180 °C; Melting Point: -57.5 °C.

Identification

CAS Registry Number	2445-76-3
PubChem CID	88454
Molecular formula	C9H18O2
Molecular weight	158.13 g/mol
IUPAC name	hexyl propanoate
InChIKey	GOKKOFHHJFGZHW-UHFFFAOYSA-N
UNII (FDA)	8R2W3UA8JV
ChEBI ID	CHEBI:87549
FEMA number	2576
JECFA number	144

Computed Descriptors

Molecular Weight	158.24
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	158.130679813
Monoisotopic Mass	158.130679813
Topological Polar Surface Area	26.3
Heavy Atom Count	11
Formal Charge	0

Physical & Chemical Properties

Boiling Point	73.00 to 74.00 °C. @ 10.00 mm Hg
Boiling Point	180 °C
Melting Point	-57.5 °C
Density	0.863-0.874
Refractive Index	1.409-1.415

Physical description & handling notes

• Liquid
• colourless to pale yellow liquid with an earthy, acrid odour
• very slightly
• soluble in alcohol, propylene glycol; insoluble in water
• (in ethanol)
• 146.3 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5047582]

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	92.9% (276 / 297)

GHS Hazard Classification

GHS notification summary	92.9% (276 / 297)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Information on 2 consumer products that contain Hexyl Propionate in the following categories is provided:
• Propanoic acid, hexyl ester: ACTIVE

Synonyms

Hexyl propionate; Hexyl propanoate; Propanoic acid, hexyl ester; 1-Hexyl propionate; 1-Hexyl propanoate; Propionic acid, hexyl ester; n-Hexyl propionate; FEMA No. 2576; Hexyl propionate (natural); UNII-8R2W3UA8JV; 8R2W3UA8JV; n-Hexyl n-propionate; EINECS 219-495-1; DTXSID5047582; BRN 1752269; AI3-33593

Frequently Asked Questions

What are the CAS number and molecular formula of HEXYL PROPIONATE?

CAS 2445-76-3; molecular formula C9H18O2; molecular weight 158.13 g/mol.

What other names is HEXYL PROPIONATE known by?

Hexyl propionate, Hexyl propanoate, Propanoic acid, hexyl ester, 1-Hexyl propionate, 1-Hexyl propanoate, Propionic acid, hexyl ester.

What is the regulatory status of HEXYL PROPIONATE?

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

Is HEXYL PROPIONATE classified as hazardous?

92.9% of GHS notifications report no hazard classification (276 of 297).

What are the key physical properties of HEXYL PROPIONATE?

Boiling Point: 73.00 to 74.00 °C. @ 10.00 mm Hg; Boiling Point: 180 °C; Melting Point: -57.5 °C; Density: 0.863-0.874.

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.