丙酸辛酯

Description

OCTYL PROPIONATE · CAS 142-60-9 · C11H22O2. UNII 68Q7D900TQ. Boiling Point: 228.00 °C. @ 760.00 mm Hg; Boiling Point: 225-228 °C; Melting Point: -42.6 °C.

Identification

CAS Registry Number	142-60-9
PubChem CID	61096
Molecular formula	C11H22O2
IUPAC name	octyl propanoate
UNII (FDA)	68Q7D900TQ
FEMA number	2813
JECFA number	145

Computed Descriptors

Molecular Weight	186.29
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	9
Exact Mass	186.161979940
Monoisotopic Mass	186.161979940
Topological Polar Surface Area	26.3
Heavy Atom Count	13
Formal Charge	0

Physical & Chemical Properties

Boiling Point	228.00 °C. @ 760.00 mm Hg
Boiling Point	225-228 °C
Melting Point	-42.6 °C
Density	0.8700-0.87044(15 °C)
Refractive Index	1.419-1.430

Physical description & handling notes

• Colorless to pale yellow liquid with an odor of myrtle berries; [Advanced BioTech MSDS]
• Liquid
• colourless to pale yellow liquid with a waxy odour
• soluble in alcohol, propylene glycol; insoluble in water
• (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 Fruit No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	100% (90 / 90)

GHS Hazard Classification

GHS notification summary	100% (90 / 90)

Documented Uses

• Used as a flavoring agent; [FDA] Used in flavorings; [Advanced BioTech MSDS]
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Propanoic acid, octyl ester: INACTIVE

Synonyms

Octyl propionate; Octyl propanoate; PROPANOIC ACID, OCTYL ESTER; FEMA No. 2813; Octyl propionate (natural); UNII-68Q7D900TQ; 68Q7D900TQ; EINECS 205-548-6; NSC-190978; AI3-33596; OCTYL PROPIONATE [FHFI]; DTXSID3059717; FEMA 2813; SFE(8:0/3:0); nOctyl propanoate; nOctyl propionate

Frequently Asked Questions

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

CAS 142-60-9; molecular formula C11H22O2; molecular weight — g/mol.

What other names is OCTYL PROPIONATE known by?

Octyl propionate, Octyl propanoate, PROPANOIC ACID, OCTYL ESTER, FEMA No. 2813, Octyl propionate (natural), UNII-68Q7D900TQ.

What is the regulatory status of OCTYL PROPIONATE?

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

Is OCTYL PROPIONATE classified as hazardous?

100% of GHS notifications report no hazard classification (90 of 90).

What are the key physical properties of OCTYL PROPIONATE?

Boiling Point: 228.00 °C. @ 760.00 mm Hg; Boiling Point: 225-228 °C; Melting Point: -42.6 °C; Density: 0.8700-0.87044(15 °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.