Propyl propionate

Description

Propyl propionate is identified by CAS 106-36-5, molecular formula C6H12O2 and molecular weight 116.08 g/mol. UNII G09TRV00GK; ChEBI 89828; InChIKey MCSINKKTEDDPNK-UHFFFAOYSA-N. Boiling Point: 122.00 to 124.00 °C. @ 760.00 mm Hg; Boiling Point: 122-124 °C; Melting Point: -75.9 °C.

Identification

CAS Registry Number	106-36-5
PubChem CID	7803
Molecular formula	C6H12O2
Molecular weight	116.08 g/mol
IUPAC name	propyl propanoate
InChIKey	MCSINKKTEDDPNK-UHFFFAOYSA-N
UNII (FDA)	G09TRV00GK
ChEBI ID	CHEBI:89828
FEMA number	2958
JECFA number	142

Computed Descriptors

Molecular Weight	116.16
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	116.083729621
Monoisotopic Mass	116.083729621
Topological Polar Surface Area	26.3
Heavy Atom Count	8
Formal Charge	0

Physical & Chemical Properties

Boiling Point	122.00 to 124.00 °C. @ 760.00 mm Hg
Boiling Point	122-124 °C
Melting Point	-75.9 °C
Solubility	5.3 mg/mL at 25 °C
Density	0.873-0.879
LogP	1.71
Refractive Index	1.391-1.396

Physical description & handling notes

• Liquid
• colourless to pale yellow liquid with a fruity (apple, banana, pineapple) odour
• miscible with alcohol, ether, propylene glycol; soluble 1 ml in 200 ml water
• 1 ml in 1 ml 95% alcohol (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 Apple, Banana, Pineapple No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	0.6% (11 / 1970)

GHS Hazard Classification

GHS notification summary	0.6% (11 / 1970)
Reported hazard statements	H226, H332

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Not Known or Reasonably Ascertainable
• 2023: 1,000,000 - <2,500,000 lb
• 2022: 1,000,000 - <2,500,000 lb
• 2021: 4,000,000 - <5,500,000 lb

Synonyms

PROPYL PROPIONATE; Propyl propanoate; n-Propyl propionate; Propanoic acid, propyl ester; n-Propyl propanoate; Propionic acid, propyl ester; n-Propyl n-propionate; Propylester kyseliny propionove; FEMA No. 2958; Propyl propionate (natural); Propionic acid n-propyl ester; NSC 72022; Propyl ester of propanoic acid; DTXSID4042337; Propyl-propanoate; UNII-G09TRV00GK

Frequently Asked Questions

What are the CAS number and molecular formula of Propyl propionate?

CAS 106-36-5; molecular formula C6H12O2; molecular weight 116.08 g/mol.

What other names is Propyl propionate known by?

PROPYL PROPIONATE, Propyl propanoate, n-Propyl propionate, Propanoic acid, propyl ester, n-Propyl propanoate, Propionic acid, propyl ester.

What is the regulatory status of Propyl propionate?

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

Is Propyl propionate classified as hazardous?

0.6% of GHS notifications report no hazard classification (11 of 1970).

What are the key physical properties of Propyl propionate?

Boiling Point: 122.00 to 124.00 °C. @ 760.00 mm Hg; Boiling Point: 122-124 °C; Melting Point: -75.9 °C; Solubility: 5.3 mg/mL at 25 °C.

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.