DEHYDROACETIC ACID

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

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

Structure Search

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

Molecular Formula	C8H8O4
Molecular Weight	168.1467
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/28677852 | https://www.ncbi.nlm.nih.gov/pubmed/27133632

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

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
Arachidonate 5-lipoxygenase 49 Target ID: CHEMBL312 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2066989	Inhibitor 8297		55.0 µM [IC50]
Sorghum bicolor 2 Target ID: CHEMBL613055 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19170511	Inhibitor 8297
Urochloa decumbens 2 Target ID: CHEMBL2367184 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19170511	Inhibitor 8297

PubMed

PubMed

Title	Date	PubMed
Potent in vivo anti-malarial activity and representative snapshot pharmacokinetic evaluation of artemisinin-quinoline hybrids.	2013 Feb 21	23433124
Allergic contact dermatitis caused by resorcinol and sodium dehydroacetate in a patient with leg ulcers.	2016 Jun	27133632
The tissue residues of sodium dehydroacetate used as feed preservative in swine.	2018 Jan	28677852
Photoreactivities of the Antiseptics Dehydroacetic Acid and Sodium Dehydroacetate Used in Cosmetics.	2018 May 1	29467339

Patents

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:23:04 UTC 2023` Edited by `admin` on `Fri Dec 15 15:23:04 UTC 2023`
Record UNII	2KAG279R6R
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DEHYDROACETIC ACID

Official Name

English

3-ACETYL-4-HYDROXY-6-METHYL-2-PYRONE

Systematic Name

English

DEHYDROACETIC ACID [INCI]

Common 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

BIOCIDE 470F

Brand 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 Fri Dec 15 15:23:04 UTC 2023 , Edited by admin on Fri Dec 15 15:23:04 UTC 2023

EPA PESTICIDE CODE

27801

Created by admin on Fri Dec 15 15:23:04 UTC 2023 , Edited by admin on Fri Dec 15 15:23:04 UTC 2023

Code System Code Type Description

ALANWOOD

dehydroacetic acid

Created by admin on Fri Dec 15 15:23:04 UTC 2023 , Edited by admin on Fri Dec 15 15:23:04 UTC 2023

PRIMARY

NSC

8770

Created by admin on Fri Dec 15 15:23:04 UTC 2023 , Edited by admin on Fri Dec 15 15:23:04 UTC 2023

PRIMARY

CAS

771-03-9

Created by admin on Fri Dec 15 15:23:04 UTC 2023 , Edited by admin on Fri Dec 15 15:23:04 UTC 2023

ALTERNATIVE

WIKIPEDIA

DEHYDROACETIC ACID

Created by admin on Fri Dec 15 15:23:04 UTC 2023 , Edited by admin on Fri Dec 15 15:23:04 UTC 2023

PRIMARY

ChEMBL

CHEMBL284127

Created by admin on Fri Dec 15 15:23:04 UTC 2023 , Edited by admin on Fri Dec 15 15:23:04 UTC 2023

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RXCUI

1370635

Created by admin on Fri Dec 15 15:23:04 UTC 2023 , Edited by admin on Fri Dec 15 15:23:04 UTC 2023

ALTERNATIVE

ECHA (EC/EINECS)

208-293-9

Created by admin on Fri Dec 15 15:23:04 UTC 2023 , Edited by admin on Fri Dec 15 15:23:04 UTC 2023

PRIMARY

RS_ITEM_NUM

1166309

Created by admin on Fri Dec 15 15:23:04 UTC 2023 , Edited by admin on Fri Dec 15 15:23:04 UTC 2023

PRIMARY

EVMPD

SUB36422

Created by admin on Fri Dec 15 15:23:04 UTC 2023 , Edited by admin on Fri Dec 15 15:23:04 UTC 2023

PRIMARY

CHEBI

137426

Created by admin on Fri Dec 15 15:23:04 UTC 2023 , Edited by admin on Fri Dec 15 15:23:04 UTC 2023

PRIMARY

EPA CompTox

DTXSID6020014

Created by admin on Fri Dec 15 15:23:04 UTC 2023 , Edited by admin on Fri Dec 15 15:23:04 UTC 2023

PRIMARY

DAILYMED

2KAG279R6R

Created by admin on Fri Dec 15 15:23:04 UTC 2023 , Edited by admin on Fri Dec 15 15:23:04 UTC 2023

PRIMARY

CAS

16807-48-0

Created by admin on Fri Dec 15 15:23:04 UTC 2023 , Edited by admin on Fri Dec 15 15:23:04 UTC 2023

ALTERNATIVE

FDA UNII

2KAG279R6R

Created by admin on Fri Dec 15 15:23:04 UTC 2023 , Edited by admin on Fri Dec 15 15:23:04 UTC 2023

PRIMARY

NCI_THESAURUS

C45678

Created by admin on Fri Dec 15 15:23:04 UTC 2023 , Edited by admin on Fri Dec 15 15:23:04 UTC 2023

CONCEPT

Industrial Aid

RXCUI

1312367

Created by admin on Fri Dec 15 15:23:04 UTC 2023 , Edited by admin on Fri Dec 15 15:23:04 UTC 2023

PRIMARY

RxNorm

SMS_ID

100000128833

Created by admin on Fri Dec 15 15:23:04 UTC 2023 , Edited by admin on Fri Dec 15 15:23:04 UTC 2023

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NCI_THESAURUS

C80894

Created by admin on Fri Dec 15 15:23:04 UTC 2023 , Edited by admin on Fri Dec 15 15:23:04 UTC 2023

PRIMARY

PUBCHEM

54678494

Created by admin on Fri Dec 15 15:23:04 UTC 2023 , Edited by admin on Fri Dec 15 15:23:04 UTC 2023

PRIMARY

MESH

C027493

Created by admin on Fri Dec 15 15:23:04 UTC 2023 , Edited by admin on Fri Dec 15 15:23:04 UTC 2023

PRIMARY

MERCK INDEX

m4139

Created by admin on Fri Dec 15 15:23:04 UTC 2023 , Edited by admin on Fri Dec 15 15:23:04 UTC 2023

PRIMARY

Merck Index

HSDB

291

Created by admin on Fri Dec 15 15:23:04 UTC 2023 , Edited by admin on Fri Dec 15 15:23:04 UTC 2023

PRIMARY

CAS

520-45-6

Created by admin on Fri Dec 15 15:23:04 UTC 2023 , Edited by admin on Fri Dec 15 15:23:04 UTC 2023

PRIMARY

NSC

139150

Created by admin on Fri Dec 15 15:23:04 UTC 2023 , Edited by admin on Fri Dec 15 15:23:04 UTC 2023

PRIMARY

ECHA (EC/EINECS)

212-227-4

Created by admin on Fri Dec 15 15:23:04 UTC 2023 , Edited by admin on Fri Dec 15 15:23:04 UTC 2023

ALTERNATIVE

Related Record Type Details


					8W46YN971G

SODIUM DEHYDROACETATE

SALT/SOLVATE -> PARENT

Amount: