1,1-Dimethoxydodecane
Basic information
- CAS
14620-52-1- Standard SMILES
CCCCCCCCCCCC(OC)OC- InChIKey
AJUWUYJULVYGRA-UHFFFAOYSA-N- Molecular formula
- C14H30O2
- Average molar mass
- 230.39 g/mol
- Monoisotopic mass
- 230.2245802
Overview
Dodecanal dimethyl acetal is an acetal.
Names & identifiers
- Preferred name
- 1,1-Dimethoxydodecane
- IUPAC
- 1,1-dimethoxydodecane
- English name
- LAURYL ALDEHYDE DIMETHYL ACETAL
- Molecular formula
- C14H30O2
- Molecular weight
- 230.39
Names & synonyms
1,1-DimethoxydodecaneDodecanal dimethyl acetal14620-52-1Dodecane, 1,1-dimethoxy-Laural dimethyl acetal384YJ7FK35DTXSID8065797FEMA NO. 4366RefChem:135404DTXCID1034763238-659-3Lauryl Aldehyde Dimethyl Acetal
Show more names
SKL1169AI3-36024Lauraldimethylacetal1,1-Dimethoxidedecane1,1-dimethoxy-dodecan
MFCD000366451,1-Dimethoxy-dodecanen-Dodecanal dimethyl acetalLauraldehyde, dimethyl acetalUNII-384YJ7FK35LAURYLALDEHYDEDIMETHYLACETALEINECS 238-659-3dodecanaldimethylacetal
Database identifiers
- CAS
14620-52-1- PubChem CID
- 84559
- DTXSID
DTXSID8065797- ChEBI
CHEBI:168764- UNII
- 384YJ7FK35
- EC Number
- 238-659-3
- Nikkaji
- J121.647C
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 122
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Dodecanal dimethyl acetal) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.847-0.853
Solubility
Insoluble in water; soluble in organic solvents
Soluble (in ethanol)
Boiling Point268-269 °C
Refractive Index1.428-1.434
Physical DescriptionClear, colourless liquid; Fatty, citrus-like aroma
Physicochemical properties
- Boiling point
- 133 °C · 133 °C / 5.3mmHg
- Density
- 0.85 · 0.85
- refractive index
- 1.429 · 1.4290-1.4320
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (114 of 114) of all reports.
Not Classified
Aggregated GHS information provided per 114 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Lauraldehyde, dimethyl acetal
Dodecane, 1,1-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Lauraldehyde, dimethyl acetal: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- hs_code
- 2911.00.5000
- risk_code
- 22
- Signal word
- Warning
- hazard_code
- Xn
- Hazard statements
- H227
- Precautionary statements
- P210-P280-P370+P378-P403+P235-P501
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationDodecane, 1,1-dimethoxy-: ACTIVE
Applications
UsesHas been suggested for use in perfumery, but its lack of power and the fact that the parent aldehyde is quite stable under normal concentration and chemical conditions in the functional products, has made the acetal more or less superfluous. It has found a little use in flavors, mainly in Honey types where its soft waxy notes can be utilized. However, it should be remembered that this acetal, like most others, is unstable in acid media - a condition which is prevalent in many flavored products.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: Dodecanal dimethyl acetal is an acetal.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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