Nonanal propyleneglycol acetal
Basic information
- CAS
68391-39-9- Standard SMILES
CCCCCCCCC1OCC(C)O1- InChIKey
AGNUIQKIUPCFET-UHFFFAOYSA-N- Molecular formula
- C12H24O2
- Average molar mass
- 200.32 g/mol
- Monoisotopic mass
- 200.17763
Overview
Nonanal propyleneglycol acetal is a dioxolane.
Names & identifiers
- Preferred name
- Nonanal propyleneglycol acetal
- IUPAC
- 4-methyl-2-octyl-1,3-dioxolane
- English name
- 4-methyl-2-octyl-1,3-dioxolane
- Molecular formula
- C12H24O2
- Molecular weight
- 200.32
Names & synonyms
4-Methyl-2-octyl-1,3-dioxolaneNonanal propyleneglycol acetal2-Octyl-4-methyl-1,3-dioxolane1,3-Dioxolane, 4-methyl-2-octyl-UNII-28H9SFA7YM28H9SFA7YMnonanal propylene glycol acetalEINECS 269-947-7NSC-21897AI3-30604FEMA NO. 4373DTXSID70867586
Show more names
Nsc21897Nonal PG AcetalNonyl propylene glycol acetal
NSC 21897NONANAL PROPYLENEGLYCOL ACETAL [FHFI]RefChem:166435DTXCID90815761(+-), NONANAL PROPYLENEGLYCOL ACETALNONANAL PROPYLENEGLYCOL ACETAL, (+-)-68391-39-9Nonanal PG Acetal
Database identifiers
- CAS
68391-39-9- PubChem CID
- 95572
- DTXSID
DTXSID70867586- ChEBI
CHEBI:179753- UNII
- 28H9SFA7YM
- EC Number
- 269-947-7
- Nikkaji
- J349.380F
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 136
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.884-0.889
Solubility
Insoluble in water; soluble in organic solvents
Soluble (in ethanol)
Boiling Point253-254 °C
Refractive Index1.430-1.436
Physical DescriptionClear, colourless liquid; Fruity aroma
Physicochemical properties
- Boiling point
- 242.5 · 242.5±8.0 °C(Predicted)
- Density
- 0.88 · 0.880±0.06 g/cm3(Predicted)
- FEMA
- 4373 · 4373 | NONANAL PROPYLENEGLYCOL ACETAL
- Odor
- fruity
- JECFA Number
- 1743 · 1743
- LogP
- 3.98 · 3.98
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 1,3-Dioxolane, 4-methyl-2-octyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
- hs_code
- 2932999099
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
Use Classification
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-octyl-: INACTIVE
Additional notes
DefinitionChEBI: Nonanal propyleneglycol acetal is a dioxolane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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