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Details

Stereochemistry ACHIRAL
Molecular Formula C6H14O2
Molecular Weight 118.1742
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACETAL

SMILES

CCOC(C)OCC

InChI

InChIKey=DHKHKXVYLBGOIT-UHFFFAOYSA-N
InChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3

HIDE SMILES / InChI
Molecular Formula C6H14O2
Molecular Weight 118.1742
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Curator's Comment: description was created based on several sources, including: http://www.accessdata.fda.gov/scripts/fcn/fcnDetailNavigation.cfm?rpt=eafuslisting&id=567 http://www.thegoodscentscompany.com/data/rw1019481.html http://www.drugfuture.com/chemdata/ACETAL.html

1,1-Diethoxyethane or acetal is flavoring and cosmetic fragrance agent. In perfumery, it’s used in head notes to add freshness to hyacinth, ivy and marine composition. It has been reported in sake, whisky and rum. It presents in list of “Everything added food in the United States (EAFUS)”. LD50 orally in rats: 4.57 g/kg.

Originator

Adkins, H.|Nissen, B.H.
1
Sources: DOI: 10.1021/ja01433a009

Approval Year

Unknown
149124
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Photoinduced reactivity of liquid ethanol at high pressure.
2010-12-02
Volatile profiling reveals intracellular metabolic changes in Aspergillus parasiticus: veA regulates branched chain amino acid and ethanol metabolism.
2010-08-24
Chromatography-olfactometry study of the aroma of fino sherry wines.
2010
[Effects of oxygenated fuels on emissions and carbon composition of fine particles from diesel engine].
2009-06-15
Chlorogenic acid derivatives with alkyl chains of different lengths and orientations: potent alpha-glucosidase inhibitors.
2008-10-09
Estimation and characterisation of budesonide tablets impurities.
2008-07-15
Vapor-phase processable novel nonplanar donor-acceptor quateraryls for blue OLEDs(#).
2008-06-19
Synthesis and in vitro/in vivo evaluation of novel 99mTc(CO)3-folates.
2006-05-18
Structure-Activity Relationships of Synthetic Coumarins as HIV-1 Inhibitors.
2006
Headspace solid phase microextraction and gas chromatography-olfactometry dilution analysis of young and aged Chinese "Yanghe Daqu" liquors.
2005-10-05
Gas chromatographic quantification of major volatile compounds and polyols in wine by direct injection.
2004-10-20
Gluconic acid consumption in wines by Schizosaccharomyces pombe and its effect on the concentrations of major volatile compounds and polyols.
2004-02-11
A mannitol teichoic acid containing rhamnose and pyruvic acid acetal from the cell wall of Brevibacterium permense VKM Ac-2280.
2003-11-14
Influence of distillation system, oak wood type, and aging time on volatile compounds of cider brandy.
2003-09-10
Analytical study of aromatic series in sherry wines subjected to biological aging.
2002-12-04
Inter- and intramolecular differentiation of enantiotopic dioxane acetals through oxazaborolidinone-mediated enantioselective ring-cleavage reaction: kinetic resolution of racemic 1,3-alkanediols and asymmetric desymmetrization of meso-1,3-polyols.
2002-10-04
Patents

Patents

JP1009243A
2
JP1020240A
1
JP1051387A
1
JP1075530A
1
JP2000001648A
1
JP2000053842A
1
JP2000086551A
1
JP2000086557A
1
JP2000119390A
1
JP2000160722A
1
JP2000219864A
1
JP2000273324A
1
JP2000288387A
1
JP2000309690A
1
JP2000351774A
1
JP2000351887A
1
JP2001031732A
1
JP2001058369A
1
JP2001072627A
1
JP2001089520A
1
JP2001089630A
1
JP2001114980A
1
JP2001115115A
1
JP2001131100A
1
JP2001142176A
1
JP2001164086A
1
JP2001164087A
1
JP2001173658A
1
JP2001188361A
1
JP2001226152A
1
JP2001234025A
1
JP2001270982A
1
JP2001286280A
1
JP2001288168A
1
JP2001302475A
4
JP2001305850A
1
JP2001316649A
1
JP2001354832A
1
JP2001511810A
1
JP2001513787A
1
JP2001523637A
3
JP2002003695A
1
JP2002030021A
1
JP2002049156A
1
JP2002069126A
1
JP2002069127A
1
JP2002128610A
1
JP2002139828A
1
JP2002145845A
1
JP2002148805A
1
JP2002234885A
1

Sample Use Guides

In Vivo Use Guide
Sources: Burdock, G.A. (2016) 'Fenaroli's Handbook of Flavor Ingredients', p.450 Retrieved from https://books.google.ru/books?id=pUEqBgAAQBAJ
Approved concentration in beverages is 3 ppm; in food – 6 ppm.
Route of Administration: Oral
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:27:42 GMT 2025
Edited
by admin
on Mon Mar 31 21:27:42 GMT 2025
Record UNII
5G14F9E2HB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACETALDEHYDE DIETHYL ACETAL
FCC  
Preferred Name English
ACETAL
FHFI   HSDB   MI  
Common Name English
NSC-7624
Code English
ACETAL [MI]
Common Name English
1,1-DIETHOXYETHANE
Systematic Name English
FEMA NO. 2002
Code English
ACETALDEHYDE DIETHYL ACETAL [FCC]
Common Name English
ACETAL [HSDB]
Common Name English
ACETAL [FHFI]
Common Name English
DIETHYLACETAL
Common Name English
Classification Tree Code System Code
CFR 21 CFR 172.515
Created by admin on Mon Mar 31 21:27:42 GMT 2025 , Edited by admin on Mon Mar 31 21:27:42 GMT 2025
JECFA EVALUATION ACETAL
Created by admin on Mon Mar 31 21:27:42 GMT 2025 , Edited by admin on Mon Mar 31 21:27:42 GMT 2025
Code System Code Type Description
HSDB
1635
Created by admin on Mon Mar 31 21:27:42 GMT 2025 , Edited by admin on Mon Mar 31 21:27:42 GMT 2025
PRIMARY
WIKIPEDIA
1,1-Diethoxyethane
Created by admin on Mon Mar 31 21:27:42 GMT 2025 , Edited by admin on Mon Mar 31 21:27:42 GMT 2025
PRIMARY
SMS_ID
100000139108
Created by admin on Mon Mar 31 21:27:42 GMT 2025 , Edited by admin on Mon Mar 31 21:27:42 GMT 2025
PRIMARY
FDA UNII
5G14F9E2HB
Created by admin on Mon Mar 31 21:27:42 GMT 2025 , Edited by admin on Mon Mar 31 21:27:42 GMT 2025
PRIMARY
MERCK INDEX
m1309
Created by admin on Mon Mar 31 21:27:42 GMT 2025 , Edited by admin on Mon Mar 31 21:27:42 GMT 2025
PRIMARY Merck Index
CAS
105-57-7
Created by admin on Mon Mar 31 21:27:42 GMT 2025 , Edited by admin on Mon Mar 31 21:27:42 GMT 2025
PRIMARY
NCI_THESAURUS
C45678
Created by admin on Mon Mar 31 21:27:42 GMT 2025 , Edited by admin on Mon Mar 31 21:27:42 GMT 2025
CONCEPT Industrial Aid
JECFA MONOGRAPH
729
Created by admin on Mon Mar 31 21:27:42 GMT 2025 , Edited by admin on Mon Mar 31 21:27:42 GMT 2025
PRIMARY
NCI_THESAURUS
C83515
Created by admin on Mon Mar 31 21:27:42 GMT 2025 , Edited by admin on Mon Mar 31 21:27:42 GMT 2025
PRIMARY
EPA CompTox
DTXSID6030607
Created by admin on Mon Mar 31 21:27:42 GMT 2025 , Edited by admin on Mon Mar 31 21:27:42 GMT 2025
PRIMARY
ECHA (EC/EINECS)
203-310-6
Created by admin on Mon Mar 31 21:27:42 GMT 2025 , Edited by admin on Mon Mar 31 21:27:42 GMT 2025
PRIMARY
NSC
7624
Created by admin on Mon Mar 31 21:27:42 GMT 2025 , Edited by admin on Mon Mar 31 21:27:42 GMT 2025
PRIMARY
PUBCHEM
7765
Created by admin on Mon Mar 31 21:27:42 GMT 2025 , Edited by admin on Mon Mar 31 21:27:42 GMT 2025
PRIMARY
EVMPD
SUB82575
Created by admin on Mon Mar 31 21:27:42 GMT 2025 , Edited by admin on Mon Mar 31 21:27:42 GMT 2025
PRIMARY
NIH
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