2-Nonanone propyleneglycol acetal

HCID 246089

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 165191-91-3
Standard SMILES: CCCCCCCC1(C)OCC(C)O1
InChIKey: AEGTXRAMXBTODF-UHFFFAOYSA-N
Molecular formula: C12H24O2
Average molar mass: 200.32 g/mol
Monoisotopic mass: 200.17763

Names & identifiers

Preferred name: 2-Nonanone propyleneglycol acetal
IUPAC: 2-heptyl-2,4-dimethyl-1,3-dioxolane

Names & synonyms

2-heptyl-2,4-dimethyl-1,3-dioxolane2-Nonanone propyleneglycol acetalFEMA no. 4399UNII-6H82GVN5JJ6H82GVN5JJ1,3-Dioxolane, 2-heptyl-2,4-dimethyl-165191-91-3DTXSID809370472-HEPTYL-2, 4-DIMETHYL-1,3-DIOXOLANE2-NONANONE PROPYLENEGLYCOL ACETAL [FHFI]RefChem:88765DTXCID301365630

Show more names

(+-)-2-NONANONE PROPYLENEGLYCOL ACETAL2-NONANONE PROPYLENEGLYCOL ACETAL, (+-)-(+/-)-2-Nonanone propyleneglycol acetal2-Nonanone propyleneglycol acetal, (+/-)-NSC58676SCHEMBL17629026NSC-58676Q27264912

Database identifiers

CAS: 165191-91-3
PubChem CID: 246089
DTXSID: DTXSID80937047
UNII: 6H82GVN5JJ
Nikkaji: J3.153.033D

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 14
Formal charge: 0
Complexity: 158

Experimental & physicochemical properties

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Density0.882-0.888 (20 °C)

Solubility · 2 items

Practically insoluble or insoluble in water; soluble in fats and oils

Soluble (in ethanol)

Boiling Point104-105 °C (11 mm Hg)

Refractive Index1.430-1.435

Physical DescriptionColourless to pale yellow liquid; Fruity, floral, fatty, herbaceous odour

Chemistry & industry

Uses & manufacturing

Use Classification · 2 items

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…