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ALDEHYDE C-18

CAS 104-61-0C9H16O2MW 156.22

ALDEHYDE C-18 (CAS 104-61-0) — formula C9H16O2, molecular weight 156.22; category organic chemicals.

Specifications

CAS Number104-61-0
Molecular FormulaC9H16O2
Molecular Weight156.22
Boiling PointBP: 134 °C at 12 mm Hg
LogP2.2
CategoryOrganic Chemicals

Purchase Profile

What this product is

ALDEHYDE C-18 is a carbon-based organic compound with CAS registry number 104-61-0 and molecular formula C9H16O2 (molecular weight 156.22), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 104-61-0

Its molecular formula C9H16O2 comprises 9 C, 16 H, 2 O atoms.

Also known as: ALDEHYDE C-18 · Gamma-Nonalactone · Gamma-Nonanolactone

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of ALDEHYDE C-18?

The CAS registry number of ALDEHYDE C-18 is 104-61-0.

What is the molecular formula and molecular weight of ALDEHYDE C-18?

Molecular formula C9H16O2, molecular weight 156.22.

What other names is ALDEHYDE C-18 known by?

It is also registered under: ALDEHYDE C-18, Gamma-Nonalactone, Gamma-Nonanolactone.

Which category does ALDEHYDE C-18 belong to?

Category: Organic Chemicals.

PubChem Public Data

Public-database records for ALDEHYDE C-18 (CAS 104-61-0), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary99.6% (1722 / 1729)

This chemical does not meet GHS hazard criteria for 99.6% (1722 of 1729) of all reports.

Reported as not meeting GHS hazard criteria by 1722 of 1729 companies (only 0.4% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Regulatory listings

Regulatory & Food ContactEU 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 summary99.6% (1722 / 1729)

Physical description and 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

Reported physical properties

沸点BP: 134 °C at 12 mm Hg
沸点121-122 °C (6 mmHg)
密度0.958-0.966 at 25 °C
密度0.958-0.966
折射率1.446-1.450

How this substance is indexed

CAS Registry Number104-61-0
PubChem CID7710
分子式C9H16O2
IUPAC 名称5-pentyloxolan-2-one
UNII(FDA)I1XGH66S8P
FEMA 编号2781
JECFA 编号229

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.

Names this substance appears under

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

Computed molecular descriptors

分子量156.22
XLogP32.2
氢键供体数0
氢键受体数2
可旋转键数4
精确质量156.115029749
单同位素质量156.115029749
拓扑极性表面积26.3
重原子数11
形式电荷0

Database abstract

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

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

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