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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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

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

Approval Year

Conditions

ConditionModalityTargetsHighest PhaseProduct

PubMed

Sample Use Guides

In Vivo Use Guide
Approved concentration in beverages is 3 ppm; in food – 6 ppm.
Route of Administration: Oral
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
5G14F9E2HB
Record Status Validated (UNII)
Record Version