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Home › Product Catalog › Hydroxycitronellal diethyl acetal

Hydroxycitronellal diethyl acetal

CAS 7779-94-4C14H30O3MW 246.22 g/mol

Hydroxycitronellal diethyl acetal (CAS 7779-94-4) — formula C14H30O3, molecular weight 246.22 g/mol.

Specifications

CAS Number7779-94-4
Molecular FormulaC14H30O3
Molecular Weight246.22 g/mol
Boiling Point135.00 °C. @ 3.00 mm Hg
LogP3.2

Purchase Profile

What this product is

Hydroxycitronellal diethyl acetal is a chemical compound with CAS registry number 7779-94-4 and molecular formula C14H30O3 (molecular weight 246.22 g/mol).

Identification

CAS number: 7779-94-4

Its molecular formula C14H30O3 comprises 14 C, 30 H, 3 O atoms.

Also known as: Hydroxycitronellal diethyl acetal · 8,8-diethoxy-2,6-dimethyloctan-2-ol

Frequently Asked Questions

What is the CAS number of Hydroxycitronellal diethyl acetal?

The CAS registry number of Hydroxycitronellal diethyl acetal is 7779-94-4.

What is the molecular formula and molecular weight of Hydroxycitronellal diethyl acetal?

Molecular formula C14H30O3, molecular weight 246.22 g/mol.

What other names is Hydroxycitronellal diethyl acetal known by?

It is also registered under: Hydroxycitronellal diethyl acetal, 8,8-diethoxy-2,6-dimethyloctan-2-ol.

PubChem Public Data

Public-database records for Hydroxycitronellal diethyl acetal (CAS 7779-94-4), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary100% (121 / 121)

This chemical does not meet GHS hazard criteria for 100% (121 of 121) of all reports.

Reported as not meeting GHS hazard criteria by 121 of 121 companies. 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
Floral
Not evaluated
GHS notification summary100% (121 / 121)

Physical description and handling notes

  • colourless slightly oily liquid; delicate green floral taste
  • insoluble in water; soluble in alcohol and oil
  • (in ethanol)

Reported physical properties

沸点135.00 °C. @ 3.00 mm Hg
沸点260 °C; 135 °C (3 mm Hg)
密度0.902-0.908
折射率1.435-1.440

How this substance is indexed

CAS Registry Number7779-94-4
PubChem CID5463911
分子式C14H30O3
分子量246.22 g/mol
IUPAC 名称8,8-diethoxy-2,6-dimethyloctan-2-ol
InChIKeyXOJDKWNFMFCXNE-UHFFFAOYSA-N
UNII(FDA)F82P1A3CIM
ChEBI 编号CHEBI:165845
FEMA 编号2584
JECFA 编号613

Documented uses

  • Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
  • Flavoring Agents -> JECFA Flavorings Index
  • 2-Octanol, 8,8-diethoxy-2,6-dimethyl-: ACTIVE

Names this substance appears under

Hydroxycitronellal diethyl acetal; 8,8-Diethoxy-2,6-dimethyloctan-2-ol; 2-Octanol, 8,8-diethoxy-2,6-dimethyl-; 8,8-Diethoxy-2,6-dimethyl-2-octanol; FEMA No. 2584; 7-Hydroxy-3,7-dimethyloctanal diethyl acetal; 1,1-Diethoxy-3,7-dimethyl-7-octanol; UNII-F82P1A3CIM; F82P1A3CIM; EINECS 231-945-9; Octanal, 7-hydroxy-3,7-dimethyl-, diethyl acetal; DTXSID00864124; 1,1-DIETHOXY-3,7-DIMETHYLOCTAN-7-OL; HYDROXYCITRONELLAL DIETHYL ACETAL [FHFI]; RefChem:147155; DTXCID30812673

Computed molecular descriptors

分子量246.39
XLogP33.2
氢键供体数1
氢键受体数3
可旋转键数10
精确质量246.21949481
单同位素质量246.21949481
拓扑极性表面积38.7
重原子数17
形式电荷0

Database abstract

Hydroxycitronellal diethyl acetal is identified by CAS 7779-94-4, molecular formula C14H30O3 and molecular weight 246.22 g/mol. UNII F82P1A3CIM; ChEBI 165845; InChIKey XOJDKWNFMFCXNE-UHFFFAOYSA-N. 沸点: 135.00 °C. @ 3.00 mm Hg; 沸点: 260 °C; 135 °C (3 mm Hg); 密度: 0.902-0.908.

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

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