醛C-18

Description

ALDEHYDE C-18 · CAS 104-61-0 · C9H16O2. UNII I1XGH66S8P. Boiling Point: BP: 134 °C at 12 mm Hg; Boiling Point: 121-122 °C (6 mmHg); Density: 0.958-0.966 at 25 °C.

Identification

CAS Registry Number	104-61-0
PubChem CID	7710
Molecular formula	C9H16O2
IUPAC name	5-pentyloxolan-2-one
UNII (FDA)	I1XGH66S8P
FEMA number	2781
JECFA number	229

Computed Descriptors

Molecular Weight	156.22
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	156.115029749
Monoisotopic Mass	156.115029749
Topological Polar Surface Area	26.3
Heavy Atom Count	11
Formal Charge	0

Physical & Chemical Properties

Boiling Point	BP: 134 °C at 12 mm Hg
Boiling Point	121-122 °C (6 mmHg)
Density	0.958-0.966 at 25 °C
Density	0.958-0.966
Refractive Index	1.446-1.450

Physical description & handling notes

• CBI; Liquid; Dry Powder; Liquid
• Colorless to pale straw-yellow liquid with an odor of coconut; [HSDB]
• colourless to slightly yellow liquid with a coconut-like odour
• Colorless to slightly yellow liquid
• Strong odor reminiscent of coconut
• Taste characteristics at 10 ppm: coconut, creamy, waxy with fatty milky notes

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent JECFA ADI: 0-1.25 mg/kg bw (1967) No safety concern at current levels of intake when used as a flavouring agent. The 1967 ADI of 0-1.25 mg/kg bw
GHS notification summary	99.6% (1722 / 1729)

GHS Hazard Classification

GHS notification summary	99.6% (1722 / 1729)

Documented Uses

• Reportedly found in peaches, apricots, roasted barley, rum, and tomatoes; Used as flavoring and fragrance ingredient; [HSDB] Used in the US as insecticide, insect and mammal repellent, and mosquito larvicide; [Reference #1]
• Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994) [Table#5371]
• Flavoring Agents -> JECFA Flavorings Index
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Information on 120 consumer products that contain Gamma-nonalactone in the following categories is provided:
• By reacting methylacrylate and hexanol in the presence of ditertiarybutyl peroxide; by condensation of undecylenic acid and malonic acid by lactonization of nonenoic acid.

Synonyms

104-61-0; Gamma-nonalactone; gamma-Nonanolactone; Prunolide; 2(3H)-Furanone, dihydro-5-pentyl-; gamma-Nonanolide; gamma-Pelargolactone; Cocos aldehyde; Nonan-1,4-olide; Coconut aldehyde; gamma-Nonylactone; 1,4-Nonalolide; apricolin; 4-Pentyl-butanolide; Aldehyde C-18; 4-Nonalactone

Frequently Asked Questions

What are the CAS number and molecular formula of ALDEHYDE C-18?

CAS 104-61-0; molecular formula C9H16O2; molecular weight — g/mol.

What other names is ALDEHYDE C-18 known by?

104-61-0, Gamma-nonalactone, gamma-Nonanolactone, Prunolide, 2(3H)-Furanone, dihydro-5-pentyl-, gamma-Nonanolide.

What is the regulatory status of ALDEHYDE C-18?

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

Is ALDEHYDE C-18 classified as hazardous?

99.6% of GHS notifications report no hazard classification (1722 of 1729).

What are the key physical properties of ALDEHYDE C-18?

Boiling Point: BP: 134 °C at 12 mm Hg; Boiling Point: 121-122 °C (6 mmHg); Density: 0.958-0.966 at 25 °C; Density: 0.958-0.966.

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.