Decanal propylene glycol acetal
Basic information
- CAS
5421-12-5- Standard SMILES
CCCCCCCCCC1OCC(C)O1- InChIKey
SJLDHKPBFAHHSI-UHFFFAOYSA-N- Molecular formula
- C13H26O2
- Average molar mass
- 214.34 g/mol
- Monoisotopic mass
- 214.19328007
Overview
Decanal propyleneglycol acetal is a dioxolane.
Names & identifiers
- Preferred name
- Decanal propylene glycol acetal
- IUPAC
- 4-methyl-2-nonyl-1,3-dioxolane
- English name
- AI3-22559
- Molecular formula
- C13H26O2
- Molecular weight
- 214.34434
Names & synonyms
4-Methyl-2-nonyl-1,3-dioxolane5421-12-51,3-Dioxolane, 4-methyl-2-nonyl-Decanal propylene glycol acetalDecanal propyleneglycol acetalDecanal, propylene glycol acetal2-nonyl-4-methyl-1,3-dioxolaneLGT28184O5NSC-6643FEMA NO. 4364DTXSID00863531NSC 6643
Show more names
EINECS 226-536-7AI3-22559DECANAL PROPYLENEGLYCOL ACETAL [FHFI]RefChem:585357DTXCID10812131226-536-71286359NSC6643
Database identifiers
- CAS
5421-12-5- PubChem CID
- 95397
- DTXSID
DTXSID00863531- ChEBI
CHEBI:180102- UNII
- LGT28184O5
- EC Number
- 226-536-7
- Nikkaji
- J217.999G
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 147
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Decanal propyleneglycol acetal) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.881-0.887
Solubility
Insoluble in water; soluble in organic solvents
Soluble (in ethanol)
Boiling Point270-271 °C
Refractive Index1.433-1.439
Physical DescriptionClear, colourless liquid; Green, floral aroma
Physicochemical properties
- FEMA
- 4364 · 4364 | DECANAL PROPYLENEGLYCOL ACETAL
- Odor
- 10 % · at 10.00 % in dipropylene glycol. green floral herbal
- Odor Type
- green
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information1,3-Dioxolane, 4-methyl-2-nonyl-: INACTIVE
Additional notes
DefinitionChEBI: Decanal propyleneglycol acetal is a dioxolane.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…