Decanal dimethyl acetal
Basic information
- CAS
7779-41-1- Standard SMILES
CCCCCCCCCC(OC)OC- InChIKey
NCRNCSZWOOYBQF-UHFFFAOYSA-N- Molecular formula
- C12H26O2
- Average molar mass
- 202.33 g/mol
- Monoisotopic mass
- 202.19328007
Overview
1,1-Dimethoxydecane is an acetal.
Names & identifiers
- Preferred name
- Decanal dimethyl acetal
- IUPAC
- 1,1-dimethoxydecane
- English name
- 1,1-Dimethoxydecane
- Molecular formula
- C12H26O2
- Molecular weight
- 202.33
Names & synonyms
1,1-Dimethoxydecane7779-41-1Decanal dimethyl acetalDecane, 1,1-dimethoxy-Decylaldehyde DMADecanal, dimethyl acetalCapraldehyde dimethyl acetalDecylaldehyde dimethyl acetal10,10-DimethoxydecaneAldehyde C-10 dimethylacetalDECANAL, DIMETHYLACETALFEMA No. 2363
Show more names
FEMA 23631-dimethoxy-decylaldehydedma1,1-dimethoxy-decanDECANE,1,1-DIMETHOXY-aldehydec-10dimethylacetalDECYLALDEHYD-DIMETHYLACETAL
9JJ0AU8EKLEINECS 231-928-6NSC 46132BRN 4242149AI3-36022NSC-46132DTXSID3064803Decanal, dimethyl acetal (8CI)
Database identifiers
- CAS
7779-41-1- PubChem CID
- 24513
- DTXSID
DTXSID3064803- ChEBI
CHEBI:178468- UNII
- 9JJ0AU8EKL
- EC Number
- 231-928-6
- Nikkaji
- J60.726F
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 100
Experimental & physicochemical properties
FragrancesFragrance Ingredient (Decanal dimethyl acetal) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.830-0.852
Flavoring AgentsEU Flavoring substances
Solubility
very slightly
insoluble in water; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point
218.00 °C. @ 760.00 mm Hg
218 °C; 77-79 °C (1 mm Hg)
Refractive Index1.420-1.430
Physical Descriptioncolourless liquid with a herbaceous, green, citrus-floral odour
Physicochemical properties
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 74.5% (114 of 153) of all reports.
Warning
H315 (25.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 153 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Decane, 1,1-dimethoxy-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Decane, 1,1-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Decane, 1,1-dimethoxy-: Environment tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (25.5%)
Safety data
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- HD6200000
- ridadr
- UN3082 - class 9 - PG 3 - DOT NA1993 - Environmentally hazardous substances, liquid, n.o.s. HI: all (not BR)
- risk_code
- 38-51/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xi,N
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 InformationDecane, 1,1-dimethoxy-: ACTIVE
Applications
UsesFinds some use in perfume compositions, mainly in heavy floral bases, Gardenia, Cassie, Tuberose, etc. and occasionally in Citrusy topnotes as a modifier for the Aldehydes. Its odor is overall more refreshing than that of the parent aldehyde.
Uses1,1-Dimethoxydecane is an aroma compound of fresh blackberries and is used in citrus oils.
Preparation methods
PreparationFrom decanal and methyl alcohol.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: 1,1-Dimethoxydecane is an acetal.
Related reactions
2 records
Compound notes
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