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Details

Stereochemistry ACHIRAL
Molecular Formula C8H8O4
Molecular Weight 168.1467
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Dehydroacetic Acid

SMILES

CC(=O)C1=C(O)C=C(C)OC1=O

InChI

InChIKey=PKLPQOJFHFGVBS-UHFFFAOYSA-N
InChI=1S/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,10H,1-2H3

HIDE SMILES / InChI

Description

Sodium dehydroacetate, a water-soluble antiseptic, is a food and feed additive with antimicrobial effects. Recently published studies have shown that sodium dehydroacetate in patients with leg ulcers could cause allergic contact dermatitis.

Approval Year

2000
172
Targets

Targets

Primary TargetPharmacologyConditionPotency
Inhibitor
8504
 55.0 µM [IC50]
Inhibitor
8504
Inhibitor
8504
PubMed

PubMed

TitleDatePubMed
Photoreactivities of the Antiseptics Dehydroacetic Acid and Sodium Dehydroacetate Used in Cosmetics.
2018-05-01
The tissue residues of sodium dehydroacetate used as feed preservative in swine.
2018-01
Allergic contact dermatitis caused by resorcinol and sodium dehydroacetate in a patient with leg ulcers.
2016-06
Potent in vivo anti-malarial activity and representative snapshot pharmacokinetic evaluation of artemisinin-quinoline hybrids.
2013-02-21
Patents

Patents

06100292
4
08273747
3
JP2002235282A
6
JP2003524425A
6
JP2011243789A
2
JP4795440B2
15
JPH05271014A
2
JPH05320616A
2
JPH0584098A
2
JPH0930901A
2
JPH11279205A
2
JPS54137044A
2
JPS56123906A
9
JPS6153279A
2
WO2012171838A2
2
Name Type Language
Dehydroacetic Acid
FCC   HSDB   II   INCI   MART.   MI   USP-RS  
INCI  
Official Name English
BIOCIDE 470F
Preferred Name English
3-ACETYL-4-HYDROXY-6-METHYL-2-PYRONE
Systematic Name English
DEHYDROACETATE
Common Name English
DEHYDROACETIC ACID [MI]
Common Name English
DEHYDROACETIC ACID [HSDB]
Common Name English
4H-PYRAN-4-ONE, 3-ACETYL-2-HYDROXY-6-METHYL-
Systematic Name English
2H-PYRAN-2,4(3H)-DIONE, 3-ACETYL-6-METHYL-
Systematic Name English
DEHYDROACETIC ACID [USP-RS]
Common Name English
2H-PYRAN-2-ONE, 3-ACETYL-4-HYDROXY-6-METHYL-
Systematic Name English
DEHYDROACETIC ACID [MART.]
Common Name English
DEHYDROACETIC ACID [II]
Common Name English
NSC-139150
Code English
3-ACETYL-4-HYDROXY-6-METHYL-2H-PYRAN-2-ONE
Systematic Name English
DEHYDROACETIC ACID [FCC]
Common Name English
NSC-8770
Code English
3-ACETYL-6-METHYL-2H-PYRAN-2,4(3H)-DIONE
Systematic Name English
DEHYDRACETIC ACID
Common Name English
ACETIC ACID, DEHYDRO-
Common Name English
Classification Tree Code System Code
CFR 21 CFR 172.130
Created by admin on Mon Mar 31 17:55:53 GMT 2025 , Edited by admin on Mon Mar 31 17:55:53 GMT 2025
EPA PESTICIDE CODE 27801
Created by admin on Mon Mar 31 17:55:53 GMT 2025 , Edited by admin on Mon Mar 31 17:55:53 GMT 2025
Code System Code Type Description
ALANWOOD
dehydroacetic acid
Created by admin on Mon Mar 31 17:55:53 GMT 2025 , Edited by admin on Mon Mar 31 17:55:53 GMT 2025
PRIMARY
NSC
8770
Created by admin on Mon Mar 31 17:55:53 GMT 2025 , Edited by admin on Mon Mar 31 17:55:53 GMT 2025
PRIMARY
CAS
771-03-9
Created by admin on Mon Mar 31 17:55:53 GMT 2025 , Edited by admin on Mon Mar 31 17:55:53 GMT 2025
ALTERNATIVE
WIKIPEDIA
DEHYDROACETIC ACID
Created by admin on Mon Mar 31 17:55:53 GMT 2025 , Edited by admin on Mon Mar 31 17:55:53 GMT 2025
PRIMARY
ChEMBL
CHEMBL284127
Created by admin on Mon Mar 31 17:55:53 GMT 2025 , Edited by admin on Mon Mar 31 17:55:53 GMT 2025
PRIMARY
RXCUI
1370635
Created by admin on Mon Mar 31 17:55:53 GMT 2025 , Edited by admin on Mon Mar 31 17:55:53 GMT 2025
ALTERNATIVE
ECHA (EC/EINECS)
208-293-9
Created by admin on Mon Mar 31 17:55:53 GMT 2025 , Edited by admin on Mon Mar 31 17:55:53 GMT 2025
PRIMARY
RS_ITEM_NUM
1166309
Created by admin on Mon Mar 31 17:55:53 GMT 2025 , Edited by admin on Mon Mar 31 17:55:53 GMT 2025
PRIMARY
EVMPD
SUB36422
Created by admin on Mon Mar 31 17:55:53 GMT 2025 , Edited by admin on Mon Mar 31 17:55:53 GMT 2025
PRIMARY
CHEBI
137426
Created by admin on Mon Mar 31 17:55:53 GMT 2025 , Edited by admin on Mon Mar 31 17:55:53 GMT 2025
PRIMARY
EPA CompTox
DTXSID6020014
Created by admin on Mon Mar 31 17:55:53 GMT 2025 , Edited by admin on Mon Mar 31 17:55:53 GMT 2025
PRIMARY
DAILYMED
2KAG279R6R
Created by admin on Mon Mar 31 17:55:53 GMT 2025 , Edited by admin on Mon Mar 31 17:55:53 GMT 2025
PRIMARY
CAS
16807-48-0
Created by admin on Mon Mar 31 17:55:53 GMT 2025 , Edited by admin on Mon Mar 31 17:55:53 GMT 2025
ALTERNATIVE
FDA UNII
2KAG279R6R
Created by admin on Mon Mar 31 17:55:53 GMT 2025 , Edited by admin on Mon Mar 31 17:55:53 GMT 2025
PRIMARY
NCI_THESAURUS
C45678
Created by admin on Mon Mar 31 17:55:53 GMT 2025 , Edited by admin on Mon Mar 31 17:55:53 GMT 2025
CONCEPT Industrial Aid
RXCUI
1312367
Created by admin on Mon Mar 31 17:55:53 GMT 2025 , Edited by admin on Mon Mar 31 17:55:53 GMT 2025
PRIMARY RxNorm
SMS_ID
100000128833
Created by admin on Mon Mar 31 17:55:53 GMT 2025 , Edited by admin on Mon Mar 31 17:55:53 GMT 2025
PRIMARY
NCI_THESAURUS
C80894
Created by admin on Mon Mar 31 17:55:53 GMT 2025 , Edited by admin on Mon Mar 31 17:55:53 GMT 2025
PRIMARY
PUBCHEM
54678494
Created by admin on Mon Mar 31 17:55:53 GMT 2025 , Edited by admin on Mon Mar 31 17:55:53 GMT 2025
PRIMARY
MESH
C027493
Created by admin on Mon Mar 31 17:55:53 GMT 2025 , Edited by admin on Mon Mar 31 17:55:53 GMT 2025
PRIMARY
MERCK INDEX
m4139
Created by admin on Mon Mar 31 17:55:53 GMT 2025 , Edited by admin on Mon Mar 31 17:55:53 GMT 2025
PRIMARY Merck Index
HSDB
291
Created by admin on Mon Mar 31 17:55:53 GMT 2025 , Edited by admin on Mon Mar 31 17:55:53 GMT 2025
PRIMARY
CAS
520-45-6
Created by admin on Mon Mar 31 17:55:53 GMT 2025 , Edited by admin on Mon Mar 31 17:55:53 GMT 2025
PRIMARY
NSC
139150
Created by admin on Mon Mar 31 17:55:53 GMT 2025 , Edited by admin on Mon Mar 31 17:55:53 GMT 2025
PRIMARY
ECHA (EC/EINECS)
212-227-4
Created by admin on Mon Mar 31 17:55:53 GMT 2025 , Edited by admin on Mon Mar 31 17:55:53 GMT 2025
ALTERNATIVE
SALT/SOLVATE (PARENT)
Structure of SODIUM DEHYDROACETATE
SUBSTANCE RECORD
Structure of Dehydroacetic Acid
NIH
NCATS
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DISCLAIMER
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