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Fructone

CAS 6413-10-1C8H14O4MW 174.19

Fructone (CAS 6413-10-1) — formula C8H14O4, molecular weight 174.19.

Specifications

CAS Number6413-10-1
Molecular FormulaC8H14O4
Molecular Weight174.19
Boiling Point125-126 °C
LogP0.2
ApplicationsUse Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Household Products: Information on 53 consumer products that contain ethyl 2-methyl-1, 3-dioxolane-2-acetate in the following categories is provided:, • Auto Products, • Inside the Home, • Personal Care, Information on 61 consumer products that contain Ethyl 2-methyl-1, 3-dioxolane-2-acetate
 in the following categories is provided:, • Commercial, Institutional, General Manufacturing Information: 1, 3-Dioxolane-2-acetic acid, 2-methyl-, ethyl ester: ACTIVE

Where it is used

Documented applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Household Products: Information on 53 consumer products that contain ethyl 2-methyl-1, 3-dioxolane-2-acetate in the following categories is provided:, • Auto Products, • Inside the Home, • Personal Care, Information on 61 consumer products that contain Ethyl 2-methyl-1, 3-dioxolane-2-acetate
 in the following categories is provided:, • Commercial, Institutional, General Manufacturing Information: 1, 3-Dioxolane-2-acetic acid, 2-methyl-, ethyl ester: ACTIVE.

Purchase Profile

What this product is

Fructone is a chemical compound with CAS registry number 6413-10-1 and molecular formula C8H14O4 (molecular weight 174.19).

Identification

CAS number: 6413-10-1

Its molecular formula C8H14O4 comprises 8 C, 14 H, 4 O atoms.

Also known as: Fructone · Ethyl-2-Methyl-1,3-Dioxolane-2-Acetate

Frequently Asked Questions

What is the CAS number of Fructone?

The CAS registry number of Fructone is 6413-10-1.

What is the molecular formula and molecular weight of Fructone?

Molecular formula C8H14O4, molecular weight 174.19.

What other names is Fructone known by?

It is also registered under: Fructone, Ethyl-2-Methyl-1,3-Dioxolane-2-Acetate.

What are the documented applications of Fructone?

Recorded applications: Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Household Products: Information on 53 consumer products that contain ethyl 2-methyl-1, 3-dioxolane-2-acetate in the following categories is provided:, • Auto Products, • Inside the Home, • Personal Care, Information on 61 consumer products that contain Ethyl 2-methyl-1, 3-dioxolane-2-acetate
 in the following categories is provided:, • Commercial, Institutional, General Manufacturing Information: 1, 3-Dioxolane-2-acetic acid, 2-methyl-, ethyl ester: ACTIVE.

PubChem Public Data

Public-database records for Fructone (CAS 6413-10-1), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary97.4% (1620 / 1663)

This chemical does not meet GHS hazard criteria for 97.4% (1620 of 1663) of all reports.

Reported as not meeting GHS hazard criteria by 1620 of 1663 companies (only 2.6% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Regulatory listings

Regulatory & Food ContactFDA Substance added to food: FLAVORING AGENT OR ADJUVANT
FLAVOURING_AGENT: Flavouring Agent
Flavoring Agents
Fruit
No safety concern at current levels of intake when used as a flavouring agent
TRS 960-JECFA 73/71
GHS notification summary97.4% (1620 / 1663)

Physical description and handling notes

  • Clear colourless liquid; Strong fruity apple green sweet woody aroma
  • Very slightly soluble in water
  • Soluble (in ethanol)

Reported physical properties

沸点125-126 °C
密度1.083-1.091 (20 °C)
折射率1.428-1.435

How this substance is indexed

CAS Registry Number6413-10-1
PubChem CID80865
分子式C8H14O4
IUPAC 名称ethyl 2-(2-methyl-1,3-dioxolan-2-yl)acetate
UNII(FDA)G5EXI4NID0
FEMA 编号4477
JECFA 编号1969

Documented uses

  • Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
  • Flavoring Agents -> JECFA Flavorings Index
  • Information on 53 consumer products that contain ethyl 2-methyl-1,3-dioxolane-2-acetate in the following categories is provided:
  • Information on 61 consumer products that contain Ethyl 2-methyl-1,3-dioxolane-2-acetate
 in the following categories is provided:
  • 1,3-Dioxolane-2-acetic acid, 2-methyl-, ethyl ester: ACTIVE

Names this substance appears under

6413-10-1; Fructone; 1,3-Dioxolane-2-acetic acid, 2-methyl-, ethyl ester; Ethyl 2-methyl-1,3-dioxolane-2-acetate; Ethyl acetoacetate ethylene ketal; Ethyl acetoacetate 3-ethylene acetal; Ethyl 3-oxobutyrate ethylene ketal; Ethyl acetoacetate ethyleneglycol ketal; G5EXI4NID0; APPLINAL; NSC 6537; BRN 0130164; EINECS 229-114-0; Ethylacetoacetate ethyleneglycol ketal; Ethyl acetoacetate ethylene glycol ketal; 2-Methyl-1,3-dioxolane-2-acetic acid ethyl ester

Computed molecular descriptors

分子量174.19
XLogP30.2
氢键供体数0
氢键受体数4
可旋转键数4
精确质量174.08920892
单同位素质量174.08920892
拓扑极性表面积44.8
重原子数12
形式电荷0

Database abstract

Fructone · CAS 6413-10-1 · C8H14O4. UNII G5EXI4NID0. 沸点: 125-126 °C; 密度: 1.083-1.091 (20 °C); Refractive Index: 1.428-1.435.

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

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