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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

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
139594
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
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 Oct 4
Gluconic acid consumption in wines by Schizosaccharomyces pombe and its effect on the concentrations of major volatile compounds and polyols.
2004 Feb 11
Headspace solid phase microextraction and gas chromatography-olfactometry dilution analysis of young and aged Chinese "Yanghe Daqu" liquors.
2005 Oct 5
Patents

Patents

JP1009243A
2
JP1020240A
1
JP1051387A
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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
Name Type Language
ACETAL
FHFI   HSDB   MI  
Common Name English
ACETALDEHYDE DIETHYL ACETAL
FCC  
Systematic 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 Sat Dec 16 05:14:20 GMT 2023 , Edited by admin on Sat Dec 16 05:14:20 GMT 2023
JECFA EVALUATION ACETAL
Created by admin on Sat Dec 16 05:14:20 GMT 2023 , Edited by admin on Sat Dec 16 05:14:20 GMT 2023
Code System Code Type Description
HSDB
1635
Created by admin on Sat Dec 16 05:14:20 GMT 2023 , Edited by admin on Sat Dec 16 05:14:20 GMT 2023
PRIMARY
WIKIPEDIA
1,1-Diethoxyethane
Created by admin on Sat Dec 16 05:14:20 GMT 2023 , Edited by admin on Sat Dec 16 05:14:20 GMT 2023
PRIMARY
SMS_ID
100000139108
Created by admin on Sat Dec 16 05:14:20 GMT 2023 , Edited by admin on Sat Dec 16 05:14:20 GMT 2023
PRIMARY
FDA UNII
5G14F9E2HB
Created by admin on Sat Dec 16 05:14:20 GMT 2023 , Edited by admin on Sat Dec 16 05:14:20 GMT 2023
PRIMARY
MERCK INDEX
m1309
Created by admin on Sat Dec 16 05:14:20 GMT 2023 , Edited by admin on Sat Dec 16 05:14:20 GMT 2023
PRIMARY Merck Index
CAS
105-57-7
Created by admin on Sat Dec 16 05:14:20 GMT 2023 , Edited by admin on Sat Dec 16 05:14:20 GMT 2023
PRIMARY
NCI_THESAURUS
C45678
Created by admin on Sat Dec 16 05:14:20 GMT 2023 , Edited by admin on Sat Dec 16 05:14:20 GMT 2023
CONCEPT Industrial Aid
JECFA MONOGRAPH
729
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PRIMARY
NCI_THESAURUS
C83515
Created by admin on Sat Dec 16 05:14:20 GMT 2023 , Edited by admin on Sat Dec 16 05:14:20 GMT 2023
PRIMARY
EPA CompTox
DTXSID6030607
Created by admin on Sat Dec 16 05:14:20 GMT 2023 , Edited by admin on Sat Dec 16 05:14:20 GMT 2023
PRIMARY
ECHA (EC/EINECS)
203-310-6
Created by admin on Sat Dec 16 05:14:20 GMT 2023 , Edited by admin on Sat Dec 16 05:14:20 GMT 2023
PRIMARY
NSC
7624
Created by admin on Sat Dec 16 05:14:20 GMT 2023 , Edited by admin on Sat Dec 16 05:14:20 GMT 2023
PRIMARY
PUBCHEM
7765
Created by admin on Sat Dec 16 05:14:20 GMT 2023 , Edited by admin on Sat Dec 16 05:14:20 GMT 2023
PRIMARY
EVMPD
SUB82575
Created by admin on Sat Dec 16 05:14:20 GMT 2023 , Edited by admin on Sat Dec 16 05:14:20 GMT 2023
PRIMARY
SUBSTANCE RECORD
Structure of ACETAL
NIH
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