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7779-41-1

Basic Information
CAS No.: 7779-41-1
Name: 1,1-Dimethoxydecane
Article Data: 12
Molecular Structure:
Molecular Structure of 7779-41-1 (1,1-Dimethoxydecane)
Formula: C12H26 O2
Molecular Weight: 202.337
Synonyms: Decanal,dimethyl acetal (7CI,8CI); 1,1-Dimethoxydecane; NSC 46132
EINECS: 231-928-6
Density: 0.83
Boiling Point: 218 ºC
Flash Point: 93 ºC
Hazard Symbols:
Risk Codes: R38;R51/53   
Safety: A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 18.46000
LogP: 3.74600
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Chemistry


IUPAC Name: 1,1-dimethoxydecane 
Molecular Weight: 202.33364 g/mol
Molecular Formula: C12H26O2 
Density: 0.844 g/cm3 
Boiling Point: 232.2 °C at 760 mmHg
Flash Point: 62.1 °C
Appreance: colorless liquid
Index of Refraction: 1.423
Molar Refractivity: 61.09 cm3
Molar Volume: 239.7 cm3
Polarizability: 24.21*10-24 cm3
Surface Tension: 26.9 dyne/cm 
Enthalpy of Vaporization: 44.99 kJ/mol
Vapour Pressure: 0.0906 mmHg at 25 °C 
XLogP3-AA: 4.6
H-Bond Acceptor: 2
Rotatable Bond Count: 10
Exact Mass: 202.19328
MonoIsotopic Mass: 202.19328
Topological Polar Surface Area: 18.5
Heavy Atom Count: 14
Complexity: 101
Canonical SMILES: CCCCCCCCCC(OC)OC
InChI: InChI=1S/C12H26O2/c1-4-5-6-7-8-9-10-11-12(13-2)14-3/h12H,4-11H2,1-3H3
InChIKey: NCRNCSZWOOYBQF-UHFFFAOYSA-N
EINECS: 231-928-6
Product Categories: Alphabetical Listings; C-D; Flavors and Fragrances

Uses

  Aldehyde c-10 dimethylacetal (CAS NO.7779-41-1) is used to be food spices (FDA,§172.515,2000).

Production

 Aldehyde c-10 dimethylacetal (CAS NO.7779-41-1) is made by the reaction of decyl aldehyde and methanol .

Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H MOD

    FCTXAV    Food and Cosmetics Toxicology. 17 (1979),759.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes: IrritantXi, DangerousN
Risk Statements: 38-51/53
R38: Irritating to skin
R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
Safety Statements: 36-61
S36: Wear suitable protective clothing 
S61: Avoid release to the environment. Refer to special instructions / safety data sheets
WGK Germany: 2
RTECS: HD6200000

Specification

 Aldehyde c-10 dimethylacetal (CAS NO.7779-41-1) is also called 1,1-Dimethoxy-decan ; 10,10-Dimethoxydecane ; Aldehydec-10dimethylacetal ; Decylaldehydedma ; Capraldehyde dimethyl acetal ; Decanal dimethyl acetal ; Decyl aldehyde, dimethyl acetal ; FEMA 2363 . Aldehyde c-10 dimethylacetal (CAS NO.7779-41-1) is almost not dissolved in water, but soluble in ethanol. It's rendering orange, fragrant flowers, medicine and also with brandy, Kang wine flavor.